SCHEMBL438050

SCHEMBL438050

CCCCCNC(CCC(=O)[O-])C(=O)[O-].[Na+].[Na+]

nearest known ligand 0.51

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 15)

geneUniProtsupporting neighboursconfidence
CA2 known ✓ P00918 4/20 0.49
CA1 known ✓ P00915 4/20 0.47
GPR84 Q9NQS5 1/20 0.51
NFKB1 P19838 2/20 0.49
FOLH1 Q04609 1/20 0.44
NOD1 Q9Y239 1/20 0.43
EPHX2 P34913 1/20 0.42
FFAR3 O14843 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
MAPK1 P28482 1/20 0.39
CYP2C19 P33261 1/20 0.39
BLM P54132 1/20 0.39

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
SCHEMBL438053 1.00 GPR84 (0.51) GPR84CA2NFKB1CA1FOLH1
SCHEMBL1239361 0.98 GPR84 (0.54) GPR84CA2NFKB1CA1FOLH1
SCHEMBL3114520 0.98 GPR84 (0.54) GPR84CA2NFKB1CA1FOLH1
SCHEMBL29728786 0.98 GPR84 (0.54) GPR84CA2NFKB1CA1FOLH1
SCHEMBL28788662 0.98 GPR84 (0.54) GPR84CA2NFKB1CA1FOLH1
SCHEMBL1239366 0.98 GPR84 (0.54) GPR84CA2NFKB1CA1FOLH1
SCHEMBL3114529 0.98 GPR84 (0.54) GPR84CA2NFKB1CA1FOLH1
SCHEMBL8652553 0.97 GPR84 (0.47) GPR84CA2NFKB1CA1FOLH1
Potassium Ion SCHEMBL9940084 0.97 GPR84 (0.47) GPR84CA2NFKB1CA1FOLH1
SCHEMBL8652556 0.97 GPR84 (0.47) GPR84CA2NFKB1CA1FOLH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114585715-A Home care products or formulations 西姆莱斯有限公司 2022-06-03 CN claimed
EP-2823803-B1 Color changing composition in O/W emulsion in the form of oleosomes OREAL (FR) 2019-08-21 EP claimed
WO-2015004631-A1 COLOR CHANGING COMPOSITION IN O/W EMULSION FORM IN THE FORM OF OLEOSOMES L'OREAL (FR) 2015-01-15 WO claimed
EP-2823803-A1 Color changing composition in O/W emulsion in the form of oleosomes L'Oréal (FR) 2015-01-14 EP claimed
US-5843476-A Slimming composition for topical treatment, containing two types of liposomes, and use thereof L'OREAL (FR) 1998-12-01 US claimed
US-5679374-A DISPERSION OF LIPID VESICLES CAPABLE OF PENETRATING INTO LAYERS OF SKIN AND CONTAINING ANTIMICROBIAL AGENTS, N-(1-OXYL-2,2,6,6-TETRAMETHYL-4-PIPERIDYL)-N-DIMETHYL-N-HYDRO XYETHYLAMMONIUM IODIDE, ANTIINFLAMMATORY AGENTS, RETINOL L'OREAL (FR) 1997-10-21 US claimed
US-5637316-A DEEP PENETRATION OF SKIN L'OREAL (FR) 1997-06-10 US claimed
US-5629015-A SUPPRESSION OF FREE RADICALS, DISPERSION OF LIPID VESICLES, DEEP PENETRATION L'OREAL (FR) 1997-05-13 US claimed
US-5614215-A LIPOSOMES, PSORIASIS, ACNE, DERMATITIS, ANTIAGING, ANTIWRINKLING, MOISTURIZERS L'OREAL (FR) 1997-03-25 US claimed
US-5607692-A MIXTURE OF TWO LIPID VESICLE DISPERSIONS: FIRST FOR DEEP LAYER TREATMENT HAS ANTI- OR DE-PIGMENTING AGENT OR TYROSINASE INHIBITOR; SECOND FOR SURFACE LAYER TREATMENT HAS KERATOLYTIC, MOISTURIZING OR PROTECTIVE AGENT L'OREAL (FR) 1997-03-04 US claimed
JP-10287547-A None JP disclosed
EP-4360612-A1 COSMETIC CLEANSING GEL HAVING HIGH TRANSPARENCY Beiersdorf AG (DE) 2024-05-01 EP disclosed
EP-4355433-A1 SUSPENDING POLYMER COMPOSITION AND METHOD OF USE THEREOF ISP Investments LLC (US) 2024-04-24 EP disclosed
EP-4041412-B1 CLEANSING PREPARATION CONTAINING CAESALPINIA SPINOSA GUM BEIERSDORF AG (DE) 2024-04-24 EP disclosed
US-20240099955-A1 SKINCARE COMPOSITIONS AND METHODS OF USE THEREOF HTL BIOTECHNOLOGY INNOVATION INC. 2024-03-28 US disclosed
EP-0062352-B1 SOAP COMPOSITION MITSUBISHI KASEI CORPORATION (JP) 1986-07-30 EP disclosed
EP-0091237-B1 DETERGENT COMPOSITION AJINOMOTO CO., INC. (JP) 1986-01-08 EP disclosed
US-4478734-A Detergent composition comprising a mixture of an N-acyllysine and anionic surface active agents, possessing unique properties in soft and hard water AJINOMOTO COMPANY INCORPORATED (JP) 1984-10-23 US disclosed
EP-0091237-A1 Detergent composition AJINOMOTO CO., INC. (JP) 1983-10-12 EP disclosed
EP-0062352-A1 Soap composition MITSUBISHI KASEI CORPORATION (JP) 1982-10-13 EP disclosed