SCHEMBL7704836

SCHEMBL7704836

CCCCCCCCCCCCCCCCC[O-].[Na+]

nearest known ligand 0.57

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 11)

geneUniProtsupporting neighboursconfidence
THRB known ✓ P10828 1/20 0.57
TSHR P16473 4/20 0.57
CES2 O00748 3/20 0.43
CES1 P23141 3/20 0.43
DNM1 Q05193 5/20 0.42
ALDH1A1 P00352 3/20 0.42
LMNA P02545 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HSD17B10 Q99714 1/20 0.42
SLC22A1 O15245 1/20 0.42

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
SCHEMBL7710689 1.00 TSHR (0.57) TSHRTHRBCES2CES1DNM1
SCHEMBL10364806 1.00
SCHEMBL29880995 1.00 TSHR (0.57) TSHRTHRBCES2CES1DNM1
SCHEMBL7744361 1.00
SCHEMBL10757626 1.00 TSHR (0.57) TSHRTHRBCES2CES1DNM1
SCHEMBL29558624 1.00 TSHR (0.57) TSHRTHRBCES2CES1DNM1
SCHEMBL11353224 1.00 TSHR (0.57) TSHRTHRBCES2CES1DNM1
SCHEMBL9328424 1.00 TSHR (0.57) TSHRTHRBCES2CES1DNM1
SCHEMBL7738518 0.96
SCHEMBL29407263 0.96 TSHR (0.50) TSHRTHRBCES2CES1DNM1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5980947-A MIXING SOLVENT CONTAINING A MIXTURE OF AT LEAST ONE WATER INSOLUBLE SOLVENT AND AT LEAST ONE WATER-MISCIBLE SOLVENT WITH A FATTY ACID OR A PHARMACOLOGICALLY ACCEPTABLE SALT TO FORM OIL PHASE; SUSTAIN RELEASING PEPTIDE OR ANTITUMOR AGENTAGENT EISAI CO., LTD. (JP) 1999-11-09 US claimed
EP-0461630-B1 Production process of microspheres EISAI CO LTD (JP) 1995-09-13 EP claimed
EP-0461630-A2 Production process of microspheres Eisai Co., Ltd. (JP) 1991-12-18 EP claimed
CN-114533073-A Bioelectrode composition, bioelectrode, method for producing bioelectrode, and reaction complex 信越化学工业株式会社 2022-05-27 CN disclosed
CN-114431864-A Bioelectrode composition, bioelectrode, and method for producing bioelectrode 信越化学工业株式会社 2022-05-06 CN disclosed
CN-114431866-A Bioelectrode composition, bioelectrode, method for producing bioelectrode, and reaction complex 信越化学工业株式会社 2022-05-06 CN disclosed
US-6352808-B1 Electrostatic-latent-image developing toner and inorganic particles used for such a toner MINOLTA CO., LTD. (JP) 2002-03-05 US disclosed
US-5980947-A MIXING SOLVENT CONTAINING A MIXTURE OF AT LEAST ONE WATER INSOLUBLE SOLVENT AND AT LEAST ONE WATER-MISCIBLE SOLVENT WITH A FATTY ACID OR A PHARMACOLOGICALLY ACCEPTABLE SALT TO FORM OIL PHASE; SUSTAIN RELEASING PEPTIDE OR ANTITUMOR AGENTAGENT EISAI CO., LTD. (JP) 1999-11-09 US disclosed
EP-0461630-B1 Production process of microspheres EISAI CO LTD (JP) 1995-09-13 EP disclosed
EP-0461630-A2 Production process of microspheres Eisai Co., Ltd. (JP) 1991-12-18 EP disclosed