SCHEMBL4326686

SCHEMBL4326686

CCCCc1ccc(C(=O)Nc2ccc(C(C)=O)cc2)cc1

nearest known ligand 0.76

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 7/20 0.76
KDM4E B2RXH2 2/20 0.71
NPC1 O15118 2/20 0.64
RAB9A P51151 2/20 0.64
GALR3 O60755 1/20 0.64
PLK1 P53350 1/20 0.62
POLB P06746 1/20 0.61
ALDH1A1 P00352 1/20 0.58
NFKB1 P19838 1/20 0.58
NFKB2 Q00653 1/20 0.58
RELA Q04206 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
BDKRB2 P30411 1/20 0.57
NR1H4 Q96RI1 1/20 0.56

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
SCHEMBL5339874 0.91 TRPV1 (0.61) TRPV1KDM4ENPC1RAB9AGALR3
SCHEMBL5385421 0.88 TRPV1 (0.76) TRPV1KDM4ENPC1RAB9AGALR3
SCHEMBL8363015 0.88 TRPV1 (0.76) TRPV1KDM4ENPC1RAB9AGALR3
SCHEMBL13578654 0.87 TRPV1 (0.70) TRPV1KDM4ENPC1RAB9AGALR3
SCHEMBL10112878 0.87 TRPV1 (0.74) TRPV1KDM4ENPC1RAB9AGALR3
SCHEMBL10803698 0.87 TRPV1 (0.74) TRPV1KDM4ENPC1RAB9AGALR3
SCHEMBL13181111 0.86 TRPV1 (0.88) TRPV1KDM4ENPC1RAB9AGALR3
SCHEMBL2915657 0.86 TRPV1 (0.72) TRPV1KDM4ENPC1RAB9AGALR3
SCHEMBL4611858 0.85 TRPV1 (0.72) TRPV1KDM4ENPC1RAB9AGALR3
SCHEMBL7302615 0.85 NR1H4 (0.76) TRPV1KDM4ENPC1RAB9AGALR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009146013-A1 MYOSIN LIGHT CHAIN PHOSPHATASE INHIBITORS GEORGETOWN UNIVERSITY (US) 2009-12-03 WO disclosed
WO-2009146013-A1 MYOSIN LIGHT CHAIN PHOSPHATASE INHIBITORS GEORGETOWN UNIVERSITY (US) 2009-12-03 WO disclosed