SCHEMBL7275567

SCHEMBL7275567

COC(=O)C1=C(CF)N(C)C(C)=C(C(=O)OC(C)C)C1c1cccc(Cl)c1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PYGL P06737 14/20 0.49
PYGM P11217 14/20 0.49
CYP2C9 P11712 3/20 0.48
KDM4E B2RXH2 3/20 0.48
MEN1 O00255 2/20 0.48
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2C19 P33261 2/20 0.48
KMT2A Q03164 2/20 0.48
HIF1A Q16665 2/20 0.48
HSD17B10 Q99714 2/20 0.48
TSHR P16473 2/20 0.48
GAA P10253 2/20 0.48
ABCB11 O95342 2/20 0.48
HPGD P15428 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
ALDH1A1 P00352 1/20 0.48
TP53 P04637 1/20 0.48
CYP2D6 P10635 1/20 0.48
NFKB1 P19838 1/20 0.48

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
SCHEMBL7275577 0.85 CYP2C9 (0.55) CYP2C9KDM4EMEN1CYP1A2CYP3A4
SCHEMBL10653191 0.83 PYGL (0.53) PYGLPYGMCYP2C9KDM4EMEN1
SCHEMBL7429254 0.80 CYP2C9 (0.64) PYGLPYGMCYP2C9KDM4EMEN1
SCHEMBL9770221 0.79 PYGM (0.52) PYGLPYGMCYP2C9KDM4EMEN1
SCHEMBL8199258 0.78 TSHR (0.73) CYP2C9KDM4EMEN1CYP1A2CYP3A4
SCHEMBL7408943 0.78 CYP2C9 (0.73) CYP2C9KDM4EMEN1CYP1A2CYP3A4
SCHEMBL8438483 0.78 TSHR (0.60) CYP2C9KDM4EMEN1CYP1A2CYP3A4
SCHEMBL7281077 0.77 CACNA1F (0.53) PYGLPYGMCYP2C9KDM4ECYP1A2
SCHEMBL7281634 0.77 TSHR (0.42) PYGLPYGMKDM4EHSD17B10TSHR
SCHEMBL10765397 0.75 CYP2C9 (0.52) PYGLPYGMCYP2C9KDM4EMEN1

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-0169009-A2 Novel dihydropyridine derivatives and their production, formulation and use as pharmaceuticals FISONS plc (GB) 1986-01-22 EP claimed
EP-0169009-A2 Novel dihydropyridine derivatives and their production, formulation and use as pharmaceuticals FISONS plc (GB) 1986-01-22 EP disclosed