SCHEMBL9033734

SCHEMBL9033734

CCOCN1C(C)=C(C(=O)OC)C(c2cccc([N+](=O)[O-])c2)C(C(=O)OCOC(=O)C(C)(C)C)=C1C

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.64
CYP3A4 P08684 3/20 0.64
CYP2C9 P11712 3/20 0.64
CYP2C19 P33261 3/20 0.64
MAPT P10636 3/20 0.64
CYP2D6 P10635 2/20 0.64
TSHR P16473 2/20 0.64
NFKB1 P19838 2/20 0.64
LMNA P02545 2/20 0.64
GMNN O75496 1/20 0.64
BLM P54132 1/20 0.64
PMP22 Q01453 1/20 0.64
NPSR1 Q6W5P4 1/20 0.64
HIF1A Q16665 3/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
POLB P06746 1/20 0.58
MAPK1 P28482 1/20 0.58
GPR55 Q9Y2T6 1/20 0.58
THPO P40225 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
SCHEMBL9033738 1.00 CYP1A2 (0.64) CYP1A2CYP3A4CYP2C9CYP2C19MAPT
SCHEMBL9032854 0.97 CYP1A2 (0.58) CYP1A2CYP3A4CYP2C9CYP2C19MAPT
SCHEMBL9032348 0.93 CYP1A2 (0.55) CYP1A2CYP3A4CYP2C9CYP2C19MAPT
SCHEMBL9032386 0.93 CYP1A2 (0.55) CYP1A2CYP3A4CYP2C9CYP2C19MAPT
SCHEMBL9034599 0.92 MAPT (0.62) CYP1A2CYP3A4CYP2C9CYP2C19MAPT
SCHEMBL9034602 0.92 MAPT (0.62) CYP1A2CYP3A4CYP2C9CYP2C19MAPT
SCHEMBL9034192 0.89 CYP1A2 (0.58) CYP1A2CYP3A4CYP2C9CYP2C19MAPT
SCHEMBL9033028 0.89 CYP1A2 (0.72) CYP1A2CYP3A4CYP2C9CYP2C19MAPT
SCHEMBL11685813 0.86 MAPT (0.66) CYP1A2CYP3A4CYP2C9CYP2C19MAPT
SCHEMBL11687260 0.86 MAPT (0.70) CYP1A2CYP3A4CYP2C9CYP2C19MAPT

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