SCHEMBL2373290

SCHEMBL2373290

COc1ccc2c(C(=O)O)c(C)c(-c3cccc(C(F)(F)F)c3)nc2c1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 10/20 0.59
TSHR P16473 1/20 0.50
PDE10A Q9Y233 1/20 0.50
TRPV4 Q9HBA0 2/20 0.48
ALDH1A1 P00352 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
GSK3A P49840 1/20 0.45
GSK3B P49841 1/20 0.45
PLG P00747 1/20 0.45
PLAU P00749 1/20 0.45
PLAT P00750 1/20 0.45
CSNK2A2 P19784 1/20 0.44
CSNK2B P67870 1/20 0.44
PTGFR P43088 2/20 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
SCHEMBL2372797 0.93 DHODH (0.66) DHODHTSHRPDE10APTGFR
SCHEMBL2372822 0.91 DHODH (0.49) DHODHTRPV4GSK3AGSK3BPLG
SCHEMBL2372758 0.89 DHODH (0.56) DHODHTSHRPDE10ATRPV4PTGFR
SCHEMBL2373047 0.87 DHODH (0.54) DHODHTSHRPDE10ATRPV4PTGFR
SCHEMBL2372605 0.86 DHODH (0.53) DHODHTSHRPDE10ATRPV4PTGFR
SCHEMBL2372855 0.86 DHODH (0.71) DHODHTSHRPDE10APTGFR
SCHEMBL5945399 0.85 PDE10A (0.68) DHODHTSHRPDE10A
SCHEMBL2373037 0.85 DHODH (0.70) DHODHTSHRPDE10ASMN1; SMN2
SCHEMBL2371929 0.85 DHODH (0.61) DHODHTSHRPDE10AALDH1A1SMN1; SMN2
SCHEMBL2373029 0.84 DHODH (0.57) DHODHPLGPLAUPLATPTGFR

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-2011119701-A1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE LLC (US) 2011-09-29 WO disclosed