SCHEMBL2372628

SCHEMBL2372628

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

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.47
KRAS P01116 1/20 0.46
SOS1 Q07889 1/20 0.46
PTGFR P43088 10/20 0.43
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.42
CTSA P10619 2/20 0.41
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
RORB Q92753 1/20 0.41
KDR P35968 1/20 0.40
CYP3A4 P08684 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
SCHEMBL2372892 0.91 DHODH (0.44) DHODHPTGFRCTSA
SCHEMBL2373084 0.91 DHODH (0.49) DHODHPTGFRCTSA
SCHEMBL2373855 0.90 DHODH (0.46) DHODHPTGFRCYP3A4
SCHEMBL2462371 0.88 DHODH (0.44) DHODHKRASSOS1PTGFRCTSA
SCHEMBL2374064 0.87 DHODH (0.47) DHODHKRASSOS1PTGFRPDE4A
SCHEMBL2373266 0.87 DHODH (0.47) DHODHKRASSOS1PTGFRABCG2
SCHEMBL2372678 0.87 DHODH (0.50) DHODHKRASSOS1PTGFRABCG2
SCHEMBL2372055 0.86 DHODH (0.54) DHODHPTGFR
SCHEMBL2372979 0.86 DHODH (0.49) DHODHPTGFRCTSARORBCYP3A4
SCHEMBL2373877 0.86 DHODH (0.49) DHODHPTGFRCTSARORBCYP3A4

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