SCHEMBL2526155

SCHEMBL2526155

C=CCOC(=O)CS(=O)(=O)[O-].[Na+]

nearest known ligand 0.42

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA12 known ✓ O43570 1/20 0.30
CA1 known ✓ P00915 1/20 0.30
CA2 known ✓ P00918 1/20 0.30
TSHR P16473 2/20 0.42
TDP1 Q9NUW8 1/20 0.39
CYP3A4 P08684 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PKM P14618 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPT P10636 1/20 0.34
CACNA1B Q00975 1/20 0.34
APBA1 Q02410 1/20 0.34
ALDH1A1 P00352 2/20 0.33
GAA P10253 1/20 0.33
HSD17B10 Q99714 1/20 0.32
CA7 P43166 1/20 0.30
CA9 Q16790 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL253115 0.79 TSHR (0.44) TSHRTDP1CYP3A4NPSR1PKM
SCHEMBL11819243 0.79
SCHEMBL2526154 0.78 TSHR (0.43) TSHRTDP1CYP3A4NPSR1PKM
Ammonia Solution, Strong SCHEMBL28125183 0.78 TSHR (0.43) TSHRTDP1CYP3A4NPSR1PKM
SCHEMBL15912136 0.76 TSHR (0.42) TSHRTDP1CYP3A4NPSR1PKM
SCHEMBL8919856 0.76 TSHR (0.46) TSHRTDP1CYP3A4NPSR1PKM
SCHEMBL15912166 0.74 TSHR (0.44) TSHRTDP1CYP3A4NPSR1PKM
SCHEMBL28716260 0.74 TSHR (0.41) TSHRTDP1CYP3A4NPSR1PKM
SCHEMBL28541190 0.73 TSHR (0.44) TSHRTDP1CYP3A4SMN1; SMN2MAPT
SCHEMBL3140306 0.73 TDP1 (0.37) TSHRTDP1CYP3A4NPSR1PKM

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 78 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004082655-A1 MEDICATED SKIN CLEANSING PRODUCTS COMPRISING AN ANTIMYCOTIC AGENT AGIS INDUSTRIES (1983) LTD. (IL) 2004-09-30 WO claimed
WO-2004024120-A2 MEDICATED SKIN CLEANSING PRODUCTS COMPRISING AN ANTIMYCOTIC AGENT BIANCO GIL (IL) 2004-03-25 WO claimed
WO-2024136513-A1 COMPOSITION FOR PROMOTING HAIR GROWTH, COMPRISING STURGEON MUCUS AS ACTIVE INGREDIENT 주식회사 에셀바이오팜 2024-06-27 WO disclosed
WO-2024136261-A1 ANTI-INFLAMMATORY OR ANTIOXIDANT COMPOSITION COMPRISING BENZYL CAFFEATE AS ACTIVE INGREDIENT 동아대학교 산학협력단 2024-06-27 WO disclosed
WO-2024136517-A1 COMPOSITION CONTAINING STURGEON MUCILAGE AS ACTIVE INGREDIENT FOR WOUND HEALING OR ACNE TREATMENT 순천향대학교 산학협력단 2024-06-27 WO disclosed
WO-2024128690-A1 INNATE IMMUNOMODULATORY EFFECT OF GINSENG BERRY POLYSACCHARIDES IN IMMUNOSUPPRESSED STATE 강릉원주대학교산학협력단 2024-06-20 WO disclosed
CN-118161520-A Lipolytic composition using surface-modified gas-generating nanoparticles 超新星生物有限公司 2024-06-11 CN disclosed
WO-2024085695-A1 NOVEL ALTIRATINIB DERIVATIVE, MANUFACTURING METHOD THEREFOR, AND COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT FOR PREVENTION, ALLEVIATION, OR TREATMENT OF SKIN PIGMENTATION 재단법인 아산사회복지재단 2024-04-25 WO disclosed
US-20240099955-A1 SKINCARE COMPOSITIONS AND METHODS OF USE THEREOF HTL BIOTECHNOLOGY INNOVATION INC. 2024-03-28 US disclosed
CN-114828834-B Lipolytic composition using surface-modified gas-generating nanoparticles 超新星生物有限公司 2024-03-26 CN disclosed
US-11896706-B2 Composition for preventing hair loss or promoting hair growth, comprising, as active ingredient, mixed extract of cucumber, eggplant and snail extracts as active ingredient OGADAL INC. (KR) 2024-02-13 US disclosed
US-4157920-A Novel precipitated siliceous products and methods for their use and production J. M. HUBER CORPORATION (US) 1979-06-12 US disclosed
US-4154815-A Zinc and enzyme toothpowder dentifrice LEVER BROTHERS COMPANY (US) 1979-05-15 US disclosed
US-4152418-A Zinc and enzyme mouthwash and mouthwash concentrate for reducing dental plaque and calculus formation LEVER BROTHERS COMPANY (US) 1979-05-01 US disclosed
US-4132806-A VISCOSITY CONTROL AGENTS FOR COSMETICS AND PHARMACEUTICALS J. M. HUBER CORPORATION (US) 1979-01-02 US disclosed
US-4082841-A ZINC SALT AND AN ENZYME LEVER BROTHERS COMPANY (US) 1978-04-04 US disclosed
US-4067746-A Amorphous precipitated silicas and methods for their preparation J. M. HUBER CORPORATION (US) 1978-01-10 US disclosed
US-4040858-A ADDUCT OF ALUMINUM, MAGNESIUM, ZINC OR CALCIUM J. M. HUBER CORPORATION (US) 1977-08-09 US disclosed
US-4015996-A ALUMINUM, MAGNESIUM, CALCIUM OR ZINC CATIONS J. M. HUBER CORPORATION (US) 1977-04-05 US disclosed
US-3988162-A Amorphous precipitated silica products and method for their production J. M. HUBER CORPORATION (US) 1976-10-26 US disclosed