SCHEMBL29286389

SCHEMBL29286389

CCCCCCCCCCCCCCCC(=O)C(CC)(C(=O)CCCCCCCCCCCCCCC)C(N)CCC

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 11/20 0.47
▸ CES1 P23141 10/20 0.47
▸ CES2 O00748 5/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.42
▸ FFAR4 Q5NUL3 1/20 0.40
▸ FFAR1 O14842 1/20 0.40

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
SCHEMBL29286401 1.00 FAAH (0.47) FAAHCES1CES2MEN1CYP1A2
SCHEMBL29286444 0.82 FAAH (0.50) FAAHCES1CES2MEN1CYP1A2
SCHEMBL31312170 0.72 FAAH (0.47) FAAHCES1CES2MEN1CYP1A2
SCHEMBL5267830 0.71 FAAH (0.59) FAAHCES1CES2MEN1CYP1A2
SCHEMBL31312434 0.70 FAAH (0.46) FAAHCES1CES2MEN1CYP1A2
SCHEMBL3236663 0.70 FAAH (0.48) FAAHCES1CES2MEN1CYP1A2
SCHEMBL116286 0.70 FAAH (0.57) FAAHCES1CES2MEN1CYP1A2
SCHEMBL9472467 0.69 FAAH (0.52) FAAHCES1CES2MEN1CYP1A2
SCHEMBL5907428 0.69 FAAH (0.52) FAAHCES1CES2MEN1CYP1A2
SCHEMBL2573096 0.69 FAAH (0.61) FAAHCES1CES2MEN1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113271917-A Hair care and conditioning composition 莱雅公司 2021-08-17 — — CN disclosed
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