SCHEMBL28502002

SCHEMBL28502002

CCCCCCCCCCCCCCCC(=O)CC(O)(CN)C(=O)CCCCCCCCCCCCCCC.COS(=O)(=O)O

nearest known ligand 0.38

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 15)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 11/20 0.38
▸ CES1 P23141 9/20 0.38
▸ CES2 O00748 4/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ MAPT P10636 1/20 0.36
▸ HTR2C P28335 1/20 0.35
▸ CA12 O43570 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA7 P43166 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ CA14 Q9ULX7 1/20 0.35
▸ HAO1 Q9UJM8 1/20 0.33

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
SCHEMBL15056105 0.89 FAAH (0.47) FAAHCES1CES2KMT2AMEN1
SCHEMBL18025423 0.79 FAAH (0.53) FAAHCES1CES2KMT2AMEN1
SCHEMBL28336601 0.79 FAAH (0.43) FAAHCES1CES2KMT2AMEN1
SCHEMBL28498503 0.78 FAAH (0.40) FAAHCES1CES2KMT2AMEN1
SCHEMBL28334153 0.78 FAAH (0.40) FAAHCES1CES2KMT2AMEN1
SCHEMBL591152 0.76 FAAH (0.50) FAAHCES1CES2KMT2AMEN1
SCHEMBL891113 0.76 FAAH (0.50) FAAHCES1CES2KMT2AMEN1
SCHEMBL28363537 0.75 FAAH (0.46) FAAHCES1CES2KMT2AMEN1
SCHEMBL7570977 0.75 FAAH (0.46) FAAHCES1CES2KMT2AMEN1
SCHEMBL2780739 0.75 FAAH (0.46) FAAHCES1CES2KMT2AMEN1

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-111936111-A Hair treatment composition comprising a reducing agent 欧莱雅 2020-11-13 — — CN claimed
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