SCHEMBL30211894

SCHEMBL30211894

CCCCCCCC/C=C\CCCCCCCC(=O)CCN(CCO)CCC(=O)CCCCCCC/C=C\CCCCCCCC.COS(=O)(=O)O

nearest known ligand 0.53

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 4/20 0.50
▸ TERT O14746 3/20 0.43
▸ PTPN1 P18031 3/20 0.43
▸ PPARG P37231 3/20 0.43
▸ PPARD Q03181 3/20 0.43
▸ PPARA Q07869 3/20 0.43
▸ CYP1A2 P05177 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ CYP2C19 P33261 2/20 0.43
▸ BLM P54132 2/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ FABP4 P15090 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ GMNN O75496 1/20 0.43
▸ USP2 O75604 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ ALOX15 P16050 1/20 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
SCHEMBL5880990 0.84 MGLL (0.53) FAAHMAPTCNR2TRPV1
SCHEMBL10575462 0.83 CNR1 (0.57) FAAHMAPTBLMKMT2AMEN1
SCHEMBL28949025 0.83 CNR1 (0.57) FAAHMAPTBLMKMT2AMEN1
Trolamine SCHEMBL430288 0.82 CNR2 (0.51) FAAHTERTPTPN1PPARGPPARD
Trolamine SCHEMBL27920333 0.82 CNR2 (0.51) FAAHTERTPTPN1PPARGPPARD
SCHEMBL5880986 0.81 MEN1 (0.41) FAAHMAPTKMT2AMEN1CNR2
SCHEMBL20564617 0.81 PPARA (0.43) PPARACNR2TRPV1
SCHEMBL7624677 0.81 MEN1 (0.41) FAAHMAPTKMT2AMEN1CNR2
Oleic Acid SCHEMBL11831365 0.80 PPARG (0.66) FAAHTERTPTPN1PPARGPPARD
Oleic Acid SCHEMBL11831371 0.80 PPARG (0.66) FAAHTERTPTPN1PPARGPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117642144-A Water insoluble fibrous article comprising active agent 宝洁公司 2024-03-01 — — CN disclosed
CN-110573139-B Fibrous structure articles containing active agents 宝洁公司 2023-02-17 — — CN disclosed
CN-110573140-B Active agent-containing articles 宝洁公司 2023-02-03 — — CN disclosed
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