SCHEMBL29286444

SCHEMBL29286444

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

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 11/20 0.50
▸ CES1 P23141 9/20 0.50
▸ CES2 O00748 5/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ LMNA P02545 2/20 0.43
▸ MAPK1 P28482 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
SCHEMBL28380134 0.88 FAAH (0.40) FAAHCES1CES2MEN1KMT2A
SCHEMBL29286389 0.82 FAAH (0.47) FAAHCES1CES2MEN1KMT2A
SCHEMBL29286401 0.82 FAAH (0.47) FAAHCES1CES2MEN1KMT2A
SCHEMBL9472467 0.79 FAAH (0.52) FAAHCES1CES2MEN1KMT2A
SCHEMBL31312170 0.79 FAAH (0.47) FAAHCES1CES2MEN1KMT2A
Hydrochloric Acid SCHEMBL28951894 0.78 FAAH (0.50) FAAHCES1CES2MEN1KMT2A
SCHEMBL31312434 0.76 FAAH (0.46) FAAHCES1CES2MEN1KMT2A
SCHEMBL5267830 0.74 FAAH (0.59) FAAHCES1CES2MEN1KMT2A
SCHEMBL28304174 0.74 FAAH (0.46) FAAHCES1CES2MEN1KMT2A
SCHEMBL116286 0.72 FAAH (0.57) FAAHCES1CES2MEN1KMT2A

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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