SCHEMBL11190894

SCHEMBL11190894

CCCCc1ccc(C(=O)Nc2ccc(O)c(N)c2)cc1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 8/20 0.61
KDM4E B2RXH2 2/20 0.58
NPC1 O15118 1/20 0.54
GALR3 O60755 1/20 0.54
RAB9A P51151 1/20 0.54
PLK1 P53350 2/20 0.54
MAPT P10636 1/20 0.51
CA12 O43570 2/20 0.49
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CA9 Q16790 2/20 0.49
CCR5 P51681 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
SCHEMBL11192040 0.96 TRPV1 (0.56) TRPV1KDM4ENPC1GALR3RAB9A
SCHEMBL11188309 0.95 PLK1 (0.56) TRPV1KDM4EPLK1
SCHEMBL11191757 0.92 TRPV1 (0.52) TRPV1KDM4ENPC1RAB9APLK1
SCHEMBL11191768 0.87 RAB9A (0.55) TRPV1KDM4ENPC1RAB9APLK1
SCHEMBL6580185 0.85 TRPV1 (0.61) TRPV1KDM4ENPC1GALR3RAB9A
SCHEMBL10112878 0.82 TRPV1 (0.74) TRPV1KDM4ENPC1GALR3RAB9A
SCHEMBL10803698 0.82 TRPV1 (0.74) TRPV1KDM4ENPC1GALR3RAB9A
SCHEMBL8756485 0.81 PLK1 (0.57) TRPV1PLK1
SCHEMBL11192829 0.79 NPC1 (0.64) KDM4ENPC1RAB9AMAPTCCR5
SCHEMBL2915657 0.79 TRPV1 (0.72) TRPV1KDM4ENPC1GALR3RAB9A

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
EP-0083204-A2 2-Aminophenol derivatives and process for their preparation ONO PHARMACEUTICAL CO., LTD. (JP) 1983-07-06 EP disclosed