SCHEMBL2373029

SCHEMBL2373029

COC(=O)c1c(C)c(-c2cccc(C(F)(F)F)c2)nc2ccc(OC)cc12

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 4/20 0.57
PTGFR P43088 12/20 0.49
PLA2G2A P14555 2/20 0.48
MITF O75030 1/20 0.48
PLG P00747 1/20 0.46
PLAU P00749 1/20 0.46
PLAT P00750 1/20 0.46

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
SCHEMBL2373573 0.93 PTGFR (0.56) DHODHPTGFR
SCHEMBL2406597 0.93 DHODH (0.50) DHODHPTGFRPLA2G2AMITF
SCHEMBL2372822 0.92 DHODH (0.49) DHODHPTGFRPLGPLAUPLAT
SCHEMBL2372797 0.92 DHODH (0.66) DHODHPTGFR
SCHEMBL2372070 0.92 DHODH (0.65) DHODHPTGFR
SCHEMBL2372055 0.91 DHODH (0.54) DHODHPTGFR
SCHEMBL2372609 0.90 DHODH (0.53) DHODHPTGFR
SCHEMBL2371993 0.90 DHODH (0.59) DHODHPTGFR
SCHEMBL14553163 0.90 DHODH (0.59) DHODHPTGFR
SCHEMBL2461722 0.89 DHODH (0.73) DHODHPTGFR

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