SCHEMBL9033294

SCHEMBL9033294

COCN1C(C)=C(C(=O)O)[C@H](c2cccc([N+](=O)[O-])c2)C(C(=O)OC)=C1C

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.65
CYP1A2 P05177 5/20 0.65
CYP3A4 P08684 5/20 0.65
CYP2C9 P11712 5/20 0.65
CYP2C19 P33261 5/20 0.65
CYP2D6 P10635 4/20 0.65
LMNA P02545 4/20 0.65
TSHR P16473 3/20 0.65
NFKB1 P19838 2/20 0.65
GMNN O75496 1/20 0.65
BLM P54132 1/20 0.65
PMP22 Q01453 1/20 0.65
NPSR1 Q6W5P4 1/20 0.65
HIF1A Q16665 3/20 0.60
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
POLB P06746 1/20 0.60
MAPK1 P28482 1/20 0.60
GPR55 Q9Y2T6 1/20 0.60
THPO P40225 1/20 0.60

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
SCHEMBL9033652 1.00 MAPT (0.65) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL9032956 1.00 MAPT (0.65) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL9032974 1.00 MAPT (0.65) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL9032948 0.96 CYP1A2 (0.70) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL9032893 0.95 CYP1A2 (0.57) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL9033536 0.95 CYP1A2 (0.57) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL10677932 0.91 CYP1A2 (0.60) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL10679047 0.91 CYP1A2 (0.60) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL10677916 0.91 CYP1A2 (0.60) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL9032405 0.91 CYP1A2 (0.67) MAPTCYP1A2CYP3A4CYP2C9CYP2C19

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