SCHEMBL2373047

SCHEMBL2373047

CCCOc1ccc2c(C(=O)O)c(C)c(-c3cccc(C(F)(F)F)c3)nc2c1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 9/20 0.54
PDE10A Q9Y233 3/20 0.46
TSHR P16473 1/20 0.46
TRPV4 Q9HBA0 2/20 0.45
NR1I2 O75469 1/20 0.45
PTGFR P43088 4/20 0.43
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42

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
SCHEMBL2372758 0.92 DHODH (0.56) DHODHPDE10ATSHRTRPV4NR1I2
SCHEMBL2374017 0.91 DHODH (0.45) DHODHTRPV4NR1I2PTGFRESR1
SCHEMBL2372605 0.88 DHODH (0.53) DHODHPDE10ATSHRTRPV4NR1I2
SCHEMBL2373290 0.87 DHODH (0.59) DHODHPDE10ATSHRTRPV4PTGFR
SCHEMBL2372552 0.85 DHODH (0.62) DHODHPDE10ATSHRPTGFR
SCHEMBL2373263 0.83 TRPV4 (0.49) DHODHTRPV4NR1I2PTGFR
SCHEMBL2373069 0.82 TRPV4 (0.46) TRPV4NR1I2ESR1ESR2
SCHEMBL2372855 0.81 DHODH (0.71) DHODHPDE10ATSHRPTGFR
SCHEMBL2371929 0.81 DHODH (0.61) DHODHPDE10ATSHRPTGFR
SCHEMBL2373037 0.81 DHODH (0.70) DHODHPDE10ATSHR

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-2011119693-A1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE LLC (US) 2011-09-29 WO disclosed