SCHEMBL7913670

SCHEMBL7913670

CC1(C)CC(C(N)=O)c2ccccc2O1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.44
TRPV1 Q8NER1 7/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
ALDH1A1 P00352 1/20 0.37
NTRK1 P04629 1/20 0.37
LMNA P02545 2/20 0.37
GAA P10253 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
SCHEMBL27815869 0.86 TRPV1 (0.41) TRPV1ALDH1A1NTRK1LMNAGAA
SCHEMBL20480671 0.80 CYP3A4 (0.37) TRPV1CNR1CNR2ALDH1A1LMNA
SCHEMBL7909655 0.80 CNR1 (0.40) TRPV1CNR1CNR2ALDH1A1LMNA
SCHEMBL29736130 0.77 TRPV1 (0.38) ATMTRPV1ALDH1A1LMNAGAA
SCHEMBL22997112 0.75 TRPV1 (0.37) TRPV1CNR1CNR2LMNA
SCHEMBL3580439 0.75 MEN1 (0.43) TRPV1CNR1CNR2LMNA
SCHEMBL31253977 0.75 MEN1 (0.43) TRPV1CNR1CNR2LMNA
SCHEMBL15021653 0.75 MEN1 (0.43) TRPV1CNR1CNR2LMNA
SCHEMBL29654106 0.75 TRPV1 (0.37) TRPV1CNR1CNR2LMNA
SCHEMBL1237664 0.75 TRPV1 (0.37) TRPV1CNR1CNR2LMNA

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-6177449-B1 CARDIOVASCULAR DISORDERS; ANTIULCER AGENTS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-01-23 US disclosed