SCHEMBL7764261

SCHEMBL7764261

CCCCCCCCC=CCCCCCCCC(=O)C(N)(CC)CO.COS(=O)(=O)O

nearest known ligand 0.49

Known targets — ChEMBL curated mechanism

ACHECHRM1CHRM3

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 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM1 known ✓ P11229 1/20 0.43
▸ FAAH O00519 7/20 0.49
▸ CES1 P23141 2/20 0.49
▸ SOAT1 P35610 2/20 0.47
▸ CYP1A2 P05177 2/20 0.47
▸ CYP2C19 P33261 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ HRH3 Q9Y5N1 1/20 0.45
▸ KDM4E B2RXH2 2/20 0.43
▸ TERT O14746 3/20 0.43
▸ MAPT P10636 2/20 0.43
▸ BLM P54132 2/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ FABP4 P15090 2/20 0.43
▸ PTPN1 P18031 2/20 0.43
▸ PPARG P37231 2/20 0.43
▸ PPARD Q03181 2/20 0.43

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
SCHEMBL15758444 0.84 FAAH (0.54) FAAHCES1SOAT1CYP1A2CYP2C19
SCHEMBL28610213 0.82 FAAH (0.65) FAAHCES1SOAT1CYP1A2CYP2C19
SCHEMBL872525 0.82 FAAH (0.39) FAAHCES1CYP1A2KMT2AMEN1
SCHEMBL29286403 0.81 FAAH (0.50) FAAHCES1SOAT1CYP1A2CYP2C19
Oleamide SCHEMBL28407228 0.80 FAAH (0.74) FAAHSOAT1CYP1A2CYP2C19KMT2A
SCHEMBL28516851 0.80 FAAH (0.51) FAAHCES1SOAT1CYP1A2CYP2C19
SCHEMBL27500926 0.79 CNR2 (0.48) FAAHCES1SOAT1CYP1A2CYP2C19
SCHEMBL6142280 0.78 FAAH (0.44) FAAHCES1SOAT1CYP1A2CYP2C19
SCHEMBL109910 0.77 FAAH (0.51) FAAHCES1SOAT1CYP1A2CYP2C19
SCHEMBL28508425 0.77 FAAH (0.49) FAAHSOAT1CYP1A2CYP2C19KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1102836-A1 WATER-IN-OIL MICROEMULSION FOR PROVIDING COSMETIC ATTRIBUTES TO FABRIC SOFTENING BASE COMPOSITION Colgate-Palmolive Company (US) 2001-05-30 — — EP disclosed
WO-2000006690-A1 WATER-IN-OIL MICROEMULSION FOR PROVIDING COSMETIC ATTRIBUTES TO FABRIC SOFTENING BASE COMPOSITION COLGATE-PALMOLIVE COMPANY (US) 2000-02-10 — — WO disclosed
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