SCHEMBL2372891

SCHEMBL2372891

COc1cc2nc(-c3cccc(C(F)(F)F)c3)c(C)c(C(=O)O)c2cc1Cl

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 13/20 0.59
TSHR P16473 1/20 0.45
PDE10A Q9Y233 1/20 0.45
CTSA P10619 1/20 0.44
PTGFR P43088 5/20 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
SCHEMBL2373885 0.96 DHODH (0.59) DHODHTSHRPDE10ACTSAPTGFR
SCHEMBL2372979 0.91 DHODH (0.49) DHODHCTSAPTGFR
SCHEMBL2373164 0.90 DHODH (0.56) DHODHTSHRPDE10APTGFR
SCHEMBL2373118 0.89 DHODH (0.60) DHODHTSHRPDE10APTGFR
SCHEMBL2372773 0.88 DHODH (0.59) DHODHTSHRPDE10APTGFR
SCHEMBL2373877 0.87 DHODH (0.49) DHODHCTSAPTGFR
SCHEMBL2373648 0.87 DHODH (0.60) DHODHTSHRPDE10APTGFR
SCHEMBL2373114 0.87 DHODH (0.62) DHODHTSHRPDE10APTGFR
SCHEMBL2373336 0.85 DHODH (0.62) DHODHTSHRPDE10APTGFR
SCHEMBL2463806 0.84 DHODH (0.54) DHODHTSHRPDE10ACTSAPTGFR

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