SCHEMBL2371903

SCHEMBL2371903

Cc1c(-c2cccc(C(F)(F)F)c2)nc2cc3c(cc2c1C(=O)O)OCCO3

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 13/20 0.61
TSHR P16473 1/20 0.46
PDE10A Q9Y233 1/20 0.46
PTGFR P43088 6/20 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
SCHEMBL2373627 0.89 DHODH (0.49) DHODHPTGFR
SCHEMBL5202086 0.86 PDE10A (0.63) DHODHTSHRPDE10A
SCHEMBL2373344 0.85 DHODH (0.82) DHODHTSHRPDE10APTGFR
SCHEMBL2372855 0.82 DHODH (0.71) DHODHTSHRPDE10APTGFR
SCHEMBL2373103 0.82 DHODH (0.70) DHODHPTGFR
SCHEMBL2372739 0.82 DHODH (0.71) DHODHPDE10A
SCHEMBL2372978 0.81 DHODH (0.63) DHODHTSHRPDE10APTGFR
SCHEMBL2372504 0.81 DHODH (0.69) DHODHTSHRPDE10APTGFR
SCHEMBL2373114 0.80 DHODH (0.62) DHODHTSHRPDE10APTGFR
SCHEMBL2373336 0.80 DHODH (0.62) DHODHTSHRPDE10APTGFR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

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