SCHEMBL28516851

SCHEMBL28516851

CCCCCCCC/C=C\CCCCCCCC(=O)C(C)(CN)C(=O)CCCCCCC/C=C\CCCCCCCC.COS(=O)(=O)O

nearest known ligand 0.51

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 0.45
▸ FAAH O00519 7/20 0.51
▸ CES1 P23141 2/20 0.51
▸ SOAT1 P35610 2/20 0.49
▸ CYP1A2 P05177 2/20 0.49
▸ CYP2C19 P33261 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ TP53 P04637 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ KDM4E B2RXH2 2/20 0.46
▸ TERT O14746 3/20 0.45
▸ PTPN1 P18031 3/20 0.45
▸ MAPT P10636 2/20 0.45
▸ BLM P54132 2/20 0.45
▸ HSD17B10 Q99714 2/20 0.45
▸ FABP4 P15090 2/20 0.45
▸ PPARG P37231 2/20 0.45
▸ PPARD Q03181 2/20 0.45
▸ PPARA Q07869 2/20 0.45

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
SCHEMBL28336601 0.92 FAAH (0.43) FAAHCES1CYP1A2KMT2AMEN1
SCHEMBL15758444 0.86 FAAH (0.54) FAAHCES1SOAT1CYP1A2CYP2C19
SCHEMBL28405189 0.86 FAAH (0.48) FAAHCES1SOAT1CYP1A2CYP2C19
SCHEMBL18065604 0.83 FAAH (0.41) FAAHCES1SOAT1CYP1A2CYP2C19
SCHEMBL29286403 0.83 FAAH (0.50) FAAHCES1SOAT1CYP1A2CYP2C19
Sulfuric Acid SCHEMBL28748104 0.83 FAAH (0.48) FAAHCES1CYP1A2KMT2AMEN1
Oleamide SCHEMBL28407228 0.82 FAAH (0.74) FAAHSOAT1CYP1A2CYP2C19KMT2A
SCHEMBL28508425 0.82 FAAH (0.49) FAAHSOAT1CYP1A2CYP2C19KMT2A
SCHEMBL28404561 0.82 FAAH (0.51) FAAHCES1SOAT1CYP1A2CYP2C19
SCHEMBL109910 0.82 FAAH (0.51) FAAHCES1SOAT1CYP1A2CYP2C19

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
CN-112190493-A Anhydrous transparent liquid head conditioning composition and preparation method thereof 广州荃智美肤生物科技研究院有限公司 2021-01-08 — — CN claimed
CN-115152051-A Electrode for energy storage device 快帽系统公司 2022-10-04 — — CN disclosed
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