SCHEMBL2372609

SCHEMBL2372609

CCOc1ccc2nc(-c3cccc(C(F)(F)F)c3)c(C)c(C(=O)OC)c2c1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 5/20 0.53
PTGFR P43088 11/20 0.49
KDM4E B2RXH2 1/20 0.45
GAA P10253 1/20 0.45
TRPV4 Q9HBA0 2/20 0.45
NR1I2 O75469 1/20 0.45
PDE10A Q9Y233 1/20 0.44

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
SCHEMBL2373263 0.93 TRPV4 (0.49) DHODHPTGFRKDM4EGAATRPV4
SCHEMBL2372552 0.91 DHODH (0.62) DHODHPTGFRKDM4EPDE10A
SCHEMBL2373029 0.90 DHODH (0.57) DHODHPTGFR
SCHEMBL2373573 0.89 PTGFR (0.56) DHODHPTGFR
SCHEMBL2372070 0.88 DHODH (0.65) DHODHPTGFRKDM4EGAA
SCHEMBL2372055 0.88 DHODH (0.54) DHODHPTGFRKDM4EGAA
SCHEMBL14553163 0.86 DHODH (0.59) DHODHPTGFRKDM4EGAA
SCHEMBL2371993 0.86 DHODH (0.59) DHODHPTGFRKDM4EGAA
SCHEMBL2406597 0.85 DHODH (0.50) DHODHPTGFRKDM4ETRPV4
SCHEMBL2461722 0.85 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-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