SCHEMBL2372887

SCHEMBL2372887

CCOc1cc2c(C(=O)O)c(C)c(-c3cccc(C(F)(F)F)c3)nc2cc1OC(C)C

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 9/20 0.53
PDE10A Q9Y233 3/20 0.49
PTGFR P43088 7/20 0.44
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.40

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
SCHEMBL2372892 0.91 DHODH (0.44) DHODHPDE10APTGFRMAPT
SCHEMBL2372981 0.86 DHODH (0.56) DHODHPDE10APTGFRTSHR
SCHEMBL2373164 0.86 DHODH (0.56) DHODHPDE10APTGFRTSHR
SCHEMBL2462422 0.84 DHODH (0.53) DHODHPDE10APTGFRTSHR
SCHEMBL2372825 0.83 DHODH (0.64) DHODHPDE10APTGFRTSHR
SCHEMBL2372311 0.83 TRPV4 (0.40) DHODHPTGFRMAPT
SCHEMBL2372552 0.82 DHODH (0.62) DHODHPDE10APTGFRTSHR
SCHEMBL2372628 0.82 DHODH (0.47) DHODHPTGFR
SCHEMBL2373266 0.82 DHODH (0.47) DHODHPDE10APTGFRMAPT
SCHEMBL2372758 0.82 DHODH (0.56) DHODHPDE10APTGFRTSHR

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