SCHEMBL2373263

SCHEMBL2373263

CCOc1ccc2c(C(=O)OC)c(C)c(-c3cccc(C(F)(F)F)c3)nc2c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 4/20 0.49
NR1I2 O75469 1/20 0.49
DHODH Q02127 2/20 0.46
KDM4E B2RXH2 2/20 0.45
GAA P10253 1/20 0.45
PTGFR P43088 5/20 0.43
TACR3 P29371 1/20 0.43
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
MAOB P27338 1/20 0.40
NAMPT P43490 1/20 0.40
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40

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
SCHEMBL2374017 0.93 DHODH (0.45) TRPV4NR1I2DHODHKDM4EGAA
SCHEMBL2372609 0.93 DHODH (0.53) TRPV4NR1I2DHODHKDM4EGAA
SCHEMBL2372758 0.90 DHODH (0.56) TRPV4NR1I2DHODHPTGFRTACR3
SCHEMBL2372822 0.90 DHODH (0.49) TRPV4DHODHKDM4EGAAPTGFR
SCHEMBL2371969 0.90 DHODH (0.44) TRPV4NR1I2DHODHKDM4EGAA
SCHEMBL2373287 0.89 TRPV4 (0.52) TRPV4NR1I2KDM4ETACR3MEN1
SCHEMBL2373266 0.85 DHODH (0.47) DHODHKDM4EGAAPTGFRMEN1
SCHEMBL2372676 0.85 DHODH (0.49) DHODHKDM4EGAAPTGFRMEN1
SCHEMBL2373099 0.84 KDM4E (0.47) DHODHKDM4EGAAPTGFRMEN1
SCHEMBL2373092 0.84 KDM4E (0.56) DHODHKDM4EGAAPTGFRMEN1

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-2011119704-A1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE LLC (US) 2011-09-29 WO disclosed
WO-2011119693-A1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE LLC (US) 2011-09-29 WO disclosed