SCHEMBL9146282

SCHEMBL9146282

CCCCC=CCC(=O)N(CCCCCCCCCCCCCCCC)CC(O)CO

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.45
EPHX2 P34913 4/20 0.40
FAAH O00519 2/20 0.40
CNR1 P21554 3/20 0.39
CNR2 P34972 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
FFAR1 O14842 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
DEGS1 O15121 1/20 0.37
SPHK2 Q9NRA0 2/20 0.37
SPHK1 Q9NYA1 2/20 0.37
CETP P11597 1/20 0.37
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL9146278 1.00 DGKA (0.45) DGKAEPHX2FAAHCNR1CNR2
SCHEMBL9151164 0.97 DGKA (0.48) DGKAEPHX2FAAHCNR1CNR2
SCHEMBL9147548 0.97 DGKA (0.48) DGKAEPHX2FAAHCNR1CNR2
SCHEMBL9115183 0.92 DGKA (0.47) DGKAEPHX2FAAHCNR1CNR2
SCHEMBL9115177 0.92 DGKA (0.47) DGKAEPHX2FAAHCNR1CNR2
SCHEMBL2496667 0.86 DGKA (0.54) DGKAEPHX2FAAHFFAR1FFAR4
SCHEMBL9147121 0.86 DGKA (0.51) DGKAEPHX2FAAHCNR1TP53
SCHEMBL9147117 0.86 DGKA (0.51) DGKAEPHX2FAAHCNR1TP53
SCHEMBL2496664 0.86 DGKA (0.54) DGKAEPHX2FAAHFFAR1FFAR4
SCHEMBL9150460 0.84 DGKA (0.41) DGKAFAAHCNR1FFAR1FFAR4

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
US-5476671-A Skin disorders CHESEBROUGH-POND'S USA CO., DIVISION OF CONOPCO, INC. (US) 1995-12-19 US disclosed