SCHEMBL2372822

SCHEMBL2372822

COC(=O)c1c(C)c(-c2cccc(C(F)(F)F)c2)nc2cc(OC)ccc12

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.49
TRPV4 Q9HBA0 2/20 0.48
GSK3A P49840 1/20 0.46
GSK3B P49841 1/20 0.46
PLAU P00749 2/20 0.46
PLAT P00750 2/20 0.46
PLG P00747 1/20 0.46
KDM4E B2RXH2 2/20 0.43
GAA P10253 1/20 0.43
PTGFR P43088 4/20 0.43
MAOA P21397 2/20 0.43
TDP1 Q9NUW8 1/20 0.42
TACR3 P29371 1/20 0.42
RORB Q92753 1/20 0.42
MAPT P10636 2/20 0.42
NR1H4 Q96RI1 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
SCHEMBL2373029 0.92 DHODH (0.57) DHODHPLAUPLATPLGPTGFR
SCHEMBL2373290 0.91 DHODH (0.59) DHODHTRPV4GSK3AGSK3BPLAU
SCHEMBL2373263 0.90 TRPV4 (0.49) DHODHTRPV4GSK3AGSK3BKDM4E
SCHEMBL2374017 0.89 DHODH (0.45) DHODHTRPV4GSK3AGSK3BKDM4E
SCHEMBL2371969 0.88 DHODH (0.44) DHODHTRPV4GSK3AGSK3BKDM4E
SCHEMBL2372769 0.88 PTGFR (0.54) DHODHTRPV4KDM4EPTGFR
SCHEMBL2373092 0.88 KDM4E (0.56) DHODHKDM4EGAAPTGFRMAPT
SCHEMBL2373011 0.87 DHODH (0.58) DHODHTRPV4KDM4EGAAPTGFR
SCHEMBL2372251 0.87 TRPV4 (0.51) TRPV4GSK3AGSK3BPLAUPLAT
SCHEMBL2372696 0.86 DHODH (0.48) 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-2011119704-A1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE LLC (US) 2011-09-29 WO disclosed