SCHEMBL2372547

SCHEMBL2372547

COC(=O)c1c(C)c(-c2ccc(Cl)c(C(F)(F)F)c2)nc2ccc(Cl)cc12

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 11/20 0.54
PLA2G2A P14555 3/20 0.51
NOTUM Q6P988 1/20 0.48
PTGFR P43088 3/20 0.44
KDM4E B2RXH2 2/20 0.42
MAPT P10636 1/20 0.42
GAA P10253 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
SCHEMBL2373396 0.87 PLA2G2A (0.48) DHODHPLA2G2ANOTUMKDM4EGAA
SCHEMBL2373435 0.84 DHODH (0.57) DHODHPLA2G2APTGFRKDM4EMAPT
SCHEMBL2372690 0.76 TRPV4 (0.51)
SCHEMBL2373092 0.76 KDM4E (0.56) DHODHPLA2G2APTGFRKDM4EMAPT
SCHEMBL2372781 0.75 PLA2G2A (0.63) DHODHPLA2G2APTGFRKDM4EGAA
SCHEMBL2373208 0.74 DHODH (0.61) DHODHPTGFR
SCHEMBL2372070 0.74 DHODH (0.65) DHODHPTGFRKDM4EGAA
SCHEMBL14553163 0.73 DHODH (0.59) DHODHPTGFRKDM4EGAA
SCHEMBL2371993 0.73 DHODH (0.59) DHODHPTGFRKDM4EGAA
SCHEMBL2373101 0.73 MAPT (0.69) DHODHPLA2G2APTGFRKDM4EMAPT

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