SCHEMBL2374064

SCHEMBL2374064

COC(=O)c1c(C)c(-c2cccc(C(F)(F)F)c2)nc2cc(OCC(F)(F)F)c(OC)cc12

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.47
PTGFR P43088 6/20 0.44
ABCG2 Q9UNQ0 2/20 0.42
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
RORB Q92753 2/20 0.42
KRAS P01116 1/20 0.42
SOS1 Q07889 1/20 0.42
CTSA P10619 2/20 0.41
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
EGFR P00533 1/20 0.41
BRAF P15056 1/20 0.40
KDR P35968 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
SCHEMBL2373266 0.93 DHODH (0.47) DHODHPTGFRABCG2KDM4EGAA
SCHEMBL2372628 0.87 DHODH (0.47) DHODHPTGFRABCG2RORBKRAS
SCHEMBL2372678 0.87 DHODH (0.50) DHODHPTGFRABCG2KDM4EGAA
SCHEMBL2372979 0.86 DHODH (0.49) DHODHPTGFRKDM4EGAARORB
SCHEMBL2373877 0.86 DHODH (0.49) DHODHPTGFRKDM4EGAARORB
SCHEMBL2373268 0.86 DHODH (0.49) DHODHPTGFRKDM4ERORB
SCHEMBL2372351 0.84 DHODH (0.48) DHODHPTGFRABCG2KDM4EGAA
SCHEMBL2372892 0.84 DHODH (0.44) DHODHPTGFRKDM4EGAACTSA
SCHEMBL2466113 0.84 DHODH (0.46) DHODHPTGFRKDM4EGAARORB
SCHEMBL2373839 0.84 PTGFR (0.46) DHODHPTGFRKDM4EGAARORB

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