SCHEMBL9008583

SCHEMBL9008583

COC(=O)C1=C(C(F)(F)F)NC(C)=C(C(=O)O)C1c1ccccc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 1/20 0.49
CYP2C9 P11712 6/20 0.49
CYP1A2 P05177 5/20 0.49
CYP3A4 P08684 5/20 0.49
CYP2C19 P33261 5/20 0.49
ADORA3 P0DMS8 5/20 0.49
MAPT P10636 4/20 0.49
KDM4E B2RXH2 3/20 0.49
HSD17B10 Q99714 3/20 0.49
TBXA2R P21731 3/20 0.49
ADRA1A P35348 3/20 0.49
SLC6A3 Q01959 3/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
ALDH1A1 P00352 3/20 0.49
TSHR P16473 3/20 0.49
NFKB1 P19838 3/20 0.49
HIF1A Q16665 2/20 0.49
ABCB11 O95342 2/20 0.49
ABCB1 P08183 2/20 0.49

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
SCHEMBL3026759 0.87 KDM4E (0.62) CACNA1BCYP2C9CYP1A2CYP3A4CYP2C19
SCHEMBL7432913 0.87 CYP2C9 (0.64) CACNA1BCYP2C9CYP1A2CYP3A4CYP2C19
SCHEMBL9452427 0.83 CACNA1C (0.70) CACNA1BCYP2C9CYP1A2CYP3A4CYP2C19
SCHEMBL9452424 0.83 CACNA1C (0.70) CACNA1BCYP2C9CYP1A2CYP3A4CYP2C19
SCHEMBL7370479 0.82 TBXA2R (0.52) CACNA1BCYP2C9CYP1A2CYP3A4CYP2C19
SCHEMBL11183512 0.81 ALDH1A1 (0.51) CACNA1BCYP2C9CYP1A2CYP3A4CYP2C19
SCHEMBL7380877 0.81 KDM4E (0.54) CACNA1BCYP2C9CYP1A2CYP3A4CYP2C19
SCHEMBL3035724 0.81 KDM4E (0.68) CACNA1BCYP2C9CYP1A2CYP3A4CYP2C19
SCHEMBL29676073 0.81 KDM4E (0.68) CACNA1BCYP2C9CYP1A2CYP3A4CYP2C19
SCHEMBL7370944 0.81 TBXA2R (0.51) CACNA1BCYP2C9CYP1A2CYP3A4CYP2C19

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-0552379-B1 DIHYDROPYRIDINE DERIVATIVES, AND PROCESS FOR THEIR PREPARATION FUJISAWA PHARMACEUTICAL CO (JP) 1996-10-30 EP disclosed
EP-0552379-A1 DIHYDROPYRIDINE DERIVATIVES, AND PROCESS FOR THEIR PREPARATION. FUJISAWA PHARMACEUTICAL CO (JP) 1993-07-28 EP disclosed