SCHEMBL9034239

SCHEMBL9034239

COCN1C(C)=C(C(=O)OC)C(c2cccc(Cl)c2Cl)C(C(=O)OCc2ccccc2)=C1C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.58
ABCB11 O95342 3/20 0.58
KDM4E B2RXH2 2/20 0.58
MEN1 O00255 2/20 0.58
CYP1A2 P05177 2/20 0.58
CYP3A4 P08684 2/20 0.58
CYP2C19 P33261 2/20 0.58
KMT2A Q03164 2/20 0.58
HIF1A Q16665 2/20 0.58
HSD17B10 Q99714 2/20 0.58
ABCB1 P08183 2/20 0.58
ADORA3 P0DMS8 2/20 0.58
ADRB3 P13945 2/20 0.58
TBXA2R P21731 2/20 0.58
ADRA1A P35348 2/20 0.58
OPRK1 P41145 2/20 0.58
SLC6A3 Q01959 2/20 0.58
SCN5A Q14524 2/20 0.58
ALDH1A1 P00352 1/20 0.58
HPGD P15428 1/20 0.58

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
SCHEMBL9033746 0.97 CYP2C9 (0.53) CYP2C9ABCB11KDM4EMEN1CYP1A2
SCHEMBL9032779 0.88 CYP2C9 (0.57) CYP2C9ABCB11KDM4EMEN1CYP1A2
SCHEMBL9032084 0.83 ABCB11 (0.56) CYP2C9ABCB11KDM4EMEN1CYP1A2
SCHEMBL9032772 0.82 ADORA3 (0.55) CYP2C9KDM4EMEN1CYP1A2CYP3A4
SCHEMBL9032248 0.82 CYP2C9 (0.51) CYP2C9ABCB11KDM4EMEN1CYP1A2
SCHEMBL9034637 0.82 CACNA1C (0.56) CYP2C9KDM4EMEN1CYP1A2CYP3A4
SCHEMBL9034198 0.82 CYP2C9 (0.69) CYP2C9ABCB11KDM4EMEN1CYP1A2
SCHEMBL9032128 0.80 ABCB11 (0.52) CYP2C9ABCB11KDM4EMEN1CYP1A2
SCHEMBL9804865 0.79 CYP2C9 (0.57) CYP2C9ABCB11KDM4EMEN1CYP1A2
SCHEMBL9032902 0.79 ABCB11 (0.48) CYP2C9ABCB11KDM4EMEN1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0474129-B1 1,4-Dihydropyridine derivatives and process for preparing the same ACHIWA KAZUO (JP) 1996-12-18 EP disclosed
US-5336774-A 1,4-dihydropyridine 3,5 carboxyl compounds ACHIWA KAZUO (JP) 1994-08-09 US disclosed
US-5234821-A Process for preparing 1,4 dihydropyridine compounds ACHIWA KAZUO (JP) 1993-08-10 US disclosed
EP-0474129-A2 1,4-Dihydropyridine derivatives and process for preparing the same Achiwa, Kazuo (JP) 1992-03-11 EP disclosed