SCHEMBL27488609

SCHEMBL27488609

CCCCCCCC/C=C\CCCCCCCCNNCCO

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.53
ALDH1A1 P00352 3/20 0.53
HPGD P15428 2/20 0.53
CNR2 P34972 2/20 0.53
TRPV1 Q8NER1 2/20 0.53
MEN1 O00255 2/20 0.53
BLM P54132 2/20 0.53
KMT2A Q03164 2/20 0.53
MAPT P10636 1/20 0.53
ALOX12 P18054 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
TRPM8 Q7Z2W7 1/20 0.50
FAAH O00519 1/20 0.50
KCNK3 O14649 1/20 0.50
PPARA Q07869 1/20 0.49

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
SCHEMBL20875743 0.89 PPARA (0.57) TRPV1FAAHPPARA
SCHEMBL4242472 0.89 PPARA (0.57) TRPV1FAAHPPARA
SCHEMBL28387595 0.89 PPARA (0.57) TRPV1FAAHPPARA
SCHEMBL28858726 0.89 PPARA (0.57) TRPV1FAAHPPARA
SCHEMBL29256753 0.87 PPARA (0.55) TRPV1FAAHPPARA
SCHEMBL27990669 0.87 ALDH1A1 (0.52) ALDH1A1MEN1KMT2A
SCHEMBL7209952 0.85 PPARA (0.58) TRPV1FAAHPPARA
SCHEMBL3961852 0.85 PPARA (0.58) TRPV1FAAHPPARA
SCHEMBL19032670 0.84 ALDH1A1 (0.53) CNR1ALDH1A1HPGDCNR2TRPV1
SCHEMBL359431 0.84 ALDH1A1 (0.53) CNR1ALDH1A1HPGDCNR2TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102504968-A Anti-static detergent YU CHEN 2012-06-20 CN claimed
CN-102504968-A Anti-static detergent YU CHEN 2012-06-20 CN disclosed
CN-1245487-A Herbicidal 3-aminocarbonyl-or 3-aminothiocarbonyl-substituted 2-benzoylcyclohexane-1, 3-diones BASF AG (DE) 2000-02-23 CN disclosed
CN-1235600-A 4-hetaroylpyrazol derivatives BASF AG (DE) 1999-11-17 CN disclosed
CN-1204324-A 2-(O-[pyrimidin-4-yl] methylenoxy) phenyl acetic acid derivatives and their use for controlling harmful fungi and animal pests BASF AG (DE) 1999-01-06 CN disclosed
CN-1201449-A Phenylacetic acid derivatives, preparation process and their use as fungicides and pesticides BASF AG (DE) 1998-12-09 CN disclosed
CN-1162306-A Substitutecl phthalimido-cinnamic acid derivatives with herbicidal effect BASF AG (DE) 1997-10-15 CN disclosed