SCHEMBL2779934

SCHEMBL2779934

Cc1c(C(=O)O)noc1-c1ccc(C(F)(F)F)c(F)c1.[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 5/20 0.52
DUSP3 P51452 3/20 0.41
KIF11 P52732 5/20 0.39
CYP11B2 P19099 2/20 0.37
ALOX5 P09917 1/20 0.37
ALOX5AP P20292 1/20 0.37
PTPN1 P18031 1/20 0.36
CYP11B1 P15538 1/20 0.36
SMURF2 Q9HAU4 1/20 0.35
SMURF1 Q9HCE7 1/20 0.35
PPARD Q03181 1/20 0.35

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
SCHEMBL1686549 0.90 TRPV1 (0.59) TRPV1DUSP3KIF11CYP11B2CYP11B1
SCHEMBL1686447 0.80 TRPV1 (0.61) TRPV1KIF11CYP11B2CYP11B1
SCHEMBL1686401 0.76 TRPV1 (0.59) TRPV1DUSP3KIF11ALOX5ALOX5AP
SCHEMBL766496 0.76 TRPV1 (0.55) TRPV1KIF11CYP11B2CYP11B1
SCHEMBL766679 0.74 TRPV1 (0.69) TRPV1DUSP3KIF11ALOX5ALOX5AP
SCHEMBL1686325 0.74 TRPV1 (0.76) TRPV1KIF11
SCHEMBL1686553 0.74 TRPV1 (0.62) TRPV1KIF11CYP11B2CYP11B1
SCHEMBL1686321 0.74 TRPV1 (0.76) TRPV1KIF11
SCHEMBL1686303 0.72 TRPV1 (0.82) TRPV1
SCHEMBL18662474 0.72 TRPV1 (0.52) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8211927-B2 5-phenyl-isoxazole-3-carboxamide derivatives as TRPV1 modulators MSD, Oss B.V. (NL) 2012-07-03 US disclosed
EP-2185530-A1 5-PHENYL-ISOXAZOLE-3-CARBOXAMIDE DERIVATIVES AS TRPV1 MODULATORS N.V. Organon (NL) 2010-05-19 EP disclosed
WO-2009016241-A1 5-PHENYL-ISOXAZOLE-3-CARBOXAMIDE DERIVATIVES AS TRPV1 MODULATORS N.V. ORGANON (NL) 2009-02-05 WO disclosed