SCHEMBL2374017

SCHEMBL2374017

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.45
PPARG P37231 2/20 0.44
PPARA Q07869 2/20 0.44
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
TRPV4 Q9HBA0 4/20 0.44
NR1I2 O75469 1/20 0.44
PTGFR P43088 4/20 0.42
MAPT P10636 2/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
ALOX12 P18054 1/20 0.41
CCR6 P51684 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
IDH1 O75874 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
FAAH O00519 1/20 0.39

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
SCHEMBL2373263 0.93 TRPV4 (0.49) DHODHPPARGPPARAKDM4EGAA
SCHEMBL2373047 0.91 DHODH (0.54) DHODHTRPV4NR1I2PTGFRESR1
SCHEMBL2373069 0.89 TRPV4 (0.46) PPARGPPARATRPV4NR1I2MAPT
SCHEMBL2372822 0.89 DHODH (0.49) DHODHKDM4EGAATRPV4PTGFR
SCHEMBL2371969 0.88 DHODH (0.44) DHODHPPARGPPARAKDM4EGAA
SCHEMBL2372609 0.85 DHODH (0.53) DHODHKDM4EGAATRPV4NR1I2
SCHEMBL2372420 0.85 KDM4E (0.46) DHODHKDM4EGAAPTGFRMAPT
SCHEMBL2372758 0.83 DHODH (0.56) DHODHTRPV4NR1I2PTGFR
SCHEMBL2372769 0.83 PTGFR (0.54) DHODHKDM4ETRPV4PTGFRALDH1A1
SCHEMBL2373092 0.83 KDM4E (0.56) DHODHKDM4EGAAPTGFRMAPT

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