SCHEMBL2373648

SCHEMBL2373648

COc1cc2c(C(=O)O)c(C)c(-c3cccc(C(F)(F)F)c3)nc2cc1O

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 13/20 0.60
TSHR P16473 1/20 0.46
PDE10A Q9Y233 1/20 0.46
PTGFR P43088 5/20 0.45
RORB Q92753 1/20 0.43

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
SCHEMBL2372678 0.91 DHODH (0.50) DHODHPTGFRRORB
SCHEMBL2373885 0.89 DHODH (0.59) DHODHTSHRPDE10APTGFR
SCHEMBL2373118 0.88 DHODH (0.60) DHODHTSHRPDE10APTGFR
SCHEMBL2372773 0.87 DHODH (0.59) DHODHTSHRPDE10APTGFR
SCHEMBL2372891 0.87 DHODH (0.59) DHODHTSHRPDE10APTGFR
SCHEMBL2372978 0.87 DHODH (0.63) DHODHTSHRPDE10APTGFR
SCHEMBL2373114 0.86 DHODH (0.62) DHODHTSHRPDE10APTGFR
SCHEMBL2372797 0.85 DHODH (0.66) DHODHTSHRPDE10APTGFR
SCHEMBL2373344 0.84 DHODH (0.82) DHODHTSHRPDE10APTGFR
SCHEMBL2373290 0.84 DHODH (0.59) 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 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