SCHEMBL3406760

SCHEMBL3406760

COC(=O)Cc1ccc(OC)c(-c2ccc(C(F)(F)F)cc2)c1CN

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 1/20 0.39
KIF11 P52732 1/20 0.38
ITGB1 P05556 1/20 0.38
ITGA4 P13612 1/20 0.38
AKR1C3 P42330 2/20 0.37
MAPT P10636 2/20 0.37
PPARA Q07869 6/20 0.37
PPARD Q03181 4/20 0.37
ANO1 Q5XXA6 1/20 0.37
AKR1C2 P52895 1/20 0.37
PPARG P37231 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
TP53 P04637 1/20 0.36
MCHR1 Q99705 1/20 0.36
RIPK3 Q9Y572 1/20 0.35

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
SCHEMBL3393662 0.85 PPARA (0.40) ITGB1ITGA4AKR1C3MAPTPPARA
SCHEMBL3425673 0.84 MCHR1 (0.38) ITGB1ITGA4AKR1C3MAPTPPARA
SCHEMBL1642693 0.84 PPARA (0.37) ITGB1ITGA4AKR1C3MAPTPPARA
SCHEMBL3406283 0.83 TRPV1 (0.42) MAPTPPARAPPARDPPARGPTGDR2
SCHEMBL3428160 0.82 PTGDR2 (0.42) PPARAPPARDPPARGPTGDR2MCHR1
SCHEMBL155320 0.81 AR (0.39) KIF11ITGB1ITGA4AKR1C3MAPT
SCHEMBL3397671 0.80 CETP (0.36) ITGB1ITGA4AKR1C3MAPTPPARA
SCHEMBL3427454 0.80 PTGDR2 (0.41) PPARAPPARDPPARGPTGDR2MCHR1
SCHEMBL3434416 0.80 PTGDR2 (0.40) ITGB1ITGA4AKR1C3AKR1C2PTGDR2
SCHEMBL3430404 0.79 PTGDR2 (0.47) ITGB1ITGA4PTGDR2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2257524-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS Amira Pharmaceuticals, Inc. (US) 2010-12-08 EP disclosed
WO-2009099902-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2009-08-13 WO disclosed