SCHEMBL9032248

SCHEMBL9032248

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.51
KDM4E B2RXH2 2/20 0.51
MEN1 O00255 2/20 0.51
CYP1A2 P05177 2/20 0.51
CYP3A4 P08684 2/20 0.51
CYP2C19 P33261 2/20 0.51
KMT2A Q03164 2/20 0.51
HIF1A Q16665 2/20 0.51
HSD17B10 Q99714 2/20 0.51
ABCB11 O95342 2/20 0.51
ALDH1A1 P00352 1/20 0.51
HPGD P15428 1/20 0.51
TP53 P04637 1/20 0.51
CYP2D6 P10635 1/20 0.51
TSHR P16473 1/20 0.51
NFKB1 P19838 1/20 0.51
THPO P40225 1/20 0.51
NR1I2 O75469 1/20 0.51
GMNN O75496 1/20 0.51
LMNA P02545 1/20 0.51

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
SCHEMBL9032779 0.94 CYP2C9 (0.57) CYP2C9KDM4EMEN1CYP1A2CYP3A4
SCHEMBL11691222 0.90 PYGL (0.56) KDM4EHSD17B10ALDH1A1HPGDTSHR
SCHEMBL9121989 0.88 CYP2C9 (0.49) CYP2C9KDM4EMEN1CYP1A2CYP3A4
SCHEMBL9031643 0.87 CYP2C9 (0.44) CYP2C9KDM4EMEN1CYP1A2CYP3A4
SCHEMBL9032902 0.86 ABCB11 (0.48) CYP2C9KDM4EMEN1CYP1A2CYP3A4
SCHEMBL9033746 0.85 CYP2C9 (0.53) CYP2C9KDM4EMEN1CYP1A2CYP3A4
SCHEMBL9804865 0.84 CYP2C9 (0.57) CYP2C9KDM4EMEN1CYP1A2CYP3A4
SCHEMBL4881550 0.83 PYGL (0.48) CYP2C9KDM4EMEN1CYP1A2CYP3A4
SCHEMBL9034239 0.82 CYP2C9 (0.58) CYP2C9KDM4EMEN1CYP1A2CYP3A4
SCHEMBL7945527 0.81 LMNA (0.47) CYP2C9KDM4EMEN1CYP1A2CYP3A4

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