SCHEMBL13316655

SCHEMBL13316655

CC[C@@H](COc1cccc(C)c1)NC(=O)Nc1cccc2cnccc12

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 18/20 0.56
NOTUM Q6P988 1/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPT P10636 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL3574588 0.93 TRPV1 (0.52) TRPV1NOTUMKDM4EALDH1A1MAPT
SCHEMBL3578525 0.92 TRPV1 (0.51) TRPV1NOTUMALDH1A1
SCHEMBL3570484 0.90 TRPV1 (0.50) TRPV1NOTUM
SCHEMBL13316528 0.87 TRPV1 (0.55) TRPV1KDM4EALDH1A1MAPT
SCHEMBL13316532 0.87 TRPV1 (0.56) TRPV1
SCHEMBL13316527 0.85 TRPV1 (0.53) TRPV1
SCHEMBL3573117 0.81 TRPV1 (0.50) TRPV1
SCHEMBL3579674 0.80 TRPV1 (0.50) TRPV1
SCHEMBL13316526 0.80 TRPV1 (0.51) TRPV1KDM4EALDH1A1MAPT
SCHEMBL3574699 0.80 TRPV1 (0.50) TRPV1

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-7728005-B2 Ether derivative AJINOMOTO CO., INC. (JP) 2010-06-01 US disclosed