SCHEMBL2372552

SCHEMBL2372552

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

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 12/20 0.62
PDE10A Q9Y233 1/20 0.52
PTGFR P43088 5/20 0.49
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP1A2 P05177 1/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL2372758 0.93 DHODH (0.56) DHODHPDE10APTGFRTSHR
SCHEMBL2372609 0.91 DHODH (0.53) DHODHPDE10APTGFRKDM4E
SCHEMBL2372797 0.89 DHODH (0.66) DHODHPDE10APTGFRTSHR
SCHEMBL2373551 0.88 DHODH (0.65) DHODHPDE10APTGFRTSHR
SCHEMBL2372825 0.87 DHODH (0.64) DHODHPDE10APTGFRTSHR
SCHEMBL2373344 0.86 DHODH (0.82) DHODHPDE10APTGFRTSHR
SCHEMBL2373047 0.85 DHODH (0.54) DHODHPDE10APTGFRTSHR
SCHEMBL2373164 0.85 DHODH (0.56) DHODHPDE10APTGFRKDM4ETSHR
SCHEMBL2373263 0.83 TRPV4 (0.49) DHODHPTGFRKDM4E
SCHEMBL2372739 0.83 DHODH (0.71) DHODHPDE10A

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