SCHEMBL4608422

SCHEMBL4608422

CC(=O)C(=Cc1ccccc1[N+](=O)[O-])C(=O)OCC(C)C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.60
NPSR1 Q6W5P4 1/20 0.60
GLO1 Q04760 1/20 0.47
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46
ALDH1A1 P00352 6/20 0.45
STAT3 P40763 1/20 0.42
LMNA P02545 3/20 0.42
KMT2A Q03164 2/20 0.42
ABCC4 O15439 1/20 0.42
CACNA1F O60840 1/20 0.42
NR1I2 O75469 1/20 0.42
ABCB11 O95342 1/20 0.42
NR3C1 P04150 1/20 0.42
CYP1A2 P05177 1/20 0.42
PGR P06401 1/20 0.42
ABCB1 P08183 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
CNR1 P21554 1/20 0.42
ADORA2A P29274 1/20 0.42

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
SCHEMBL4608555 1.00 MAPT (0.60) MAPTNPSR1GLO1GAAHPGD
SCHEMBL29043783 0.86 MAPT (0.64) MAPTNPSR1GLO1GAAHPGD
SCHEMBL10386660 0.86 MAPT (0.64) MAPTNPSR1GLO1GAAHPGD
SCHEMBL7270940 0.86 MAPT (0.64) MAPTNPSR1GLO1GAAHPGD
SCHEMBL30553800 0.86 MAPT (0.64) MAPTNPSR1GLO1GAAHPGD
SCHEMBL7282260 0.84 MAPT (0.64) MAPTNPSR1GLO1GAAHPGD
SCHEMBL10661942 0.84 MAPT (0.64) MAPTNPSR1GLO1GAAHPGD
SCHEMBL10377587 0.83 MAPT (0.64) MAPTNPSR1GLO1ALDH1A1STAT3
SCHEMBL7374470 0.83 MAPT (0.60) MAPTNPSR1GLO1ALDH1A1KMT2A
SCHEMBL7271101 0.83 MAPT (0.64) MAPTNPSR1GLO1ALDH1A1STAT3

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1532110-B1 INDUSTRIAL PROCESS FOR THE SYNTHESIS OF ISOBUTYL METHYL 1,4-DIHYDRO-2,6-DIMETHYL-4-(2-NITROPHENYL)-3,5-PYRIDINE DICARBOXYLATE (NISOLDIPINE) ERREGIERRE SPA (IT) 2008-07-23 EP claimed
US-7060838-B2 Industrial process for the synthesis of isobutyl methyl 1,4-dihydro-2,6-dimethyl-4-(2-nitrophenyl)-3,5-pyridine dicarboxylate (nisoldipine) ERREGIERRE, S.P.A. (IT) 2006-06-13 US claimed
US-20050240022-A1 Industrial process for the synthesis of isobutyl methyl 1,4-dihydro-2,6-dimethyl-4-(2-nitrophenyl)-3,5-pyridine dicarboxylate (nisoldipine) ERREGIERRE, S.P.A. (IT) 2005-10-27 US claimed
EP-1532110-A1 INDUSTRIAL PROCESS FOR THE SYNTHESIS OF ISOBUTYL METHYL 1,4-DIHYDRO-2,6-DIMETHYL-4-(2-NITROPHENYL)-3,5-PYRIDINE DICARBOXYLATE (NISOLDIPINE) ERREGIERRE S.p.A. (IT) 2005-05-25 EP claimed
WO-2004002958-A1 INDUSTRIAL PROCESS FOR THE SYNTHESIS OF ISOBUTYL METHYL 1,4-DIHYDRO-2,6-DIMETHYL-4-(2-NITROPHENYL)-3,5-PYRIDINE DICARBOXYLATE (NISOLDIPINE) ERREGIERRE, S.P.A. (IT) 2004-01-08 WO claimed
EP-1532110-B1 INDUSTRIAL PROCESS FOR THE SYNTHESIS OF ISOBUTYL METHYL 1,4-DIHYDRO-2,6-DIMETHYL-4-(2-NITROPHENYL)-3,5-PYRIDINE DICARBOXYLATE (NISOLDIPINE) ERREGIERRE SPA (IT) 2008-07-23 EP disclosed
EP-1532110-B1 INDUSTRIAL PROCESS FOR THE SYNTHESIS OF ISOBUTYL METHYL 1,4-DIHYDRO-2,6-DIMETHYL-4-(2-NITROPHENYL)-3,5-PYRIDINE DICARBOXYLATE (NISOLDIPINE) ERREGIERRE SPA (IT) 2008-07-23 EP disclosed
US-7060838-B2 Industrial process for the synthesis of isobutyl methyl 1,4-dihydro-2,6-dimethyl-4-(2-nitrophenyl)-3,5-pyridine dicarboxylate (nisoldipine) ERREGIERRE, S.P.A. (IT) 2006-06-13 US disclosed
US-7060838-B2 Industrial process for the synthesis of isobutyl methyl 1,4-dihydro-2,6-dimethyl-4-(2-nitrophenyl)-3,5-pyridine dicarboxylate (nisoldipine) ERREGIERRE, S.P.A. (IT) 2006-06-13 US disclosed
US-20050240022-A1 Industrial process for the synthesis of isobutyl methyl 1,4-dihydro-2,6-dimethyl-4-(2-nitrophenyl)-3,5-pyridine dicarboxylate (nisoldipine) ERREGIERRE, S.P.A. (IT) 2005-10-27 US disclosed
US-20050240022-A1 Industrial process for the synthesis of isobutyl methyl 1,4-dihydro-2,6-dimethyl-4-(2-nitrophenyl)-3,5-pyridine dicarboxylate (nisoldipine) ERREGIERRE, S.P.A. (IT) 2005-10-27 US disclosed
EP-1532110-A1 INDUSTRIAL PROCESS FOR THE SYNTHESIS OF ISOBUTYL METHYL 1,4-DIHYDRO-2,6-DIMETHYL-4-(2-NITROPHENYL)-3,5-PYRIDINE DICARBOXYLATE (NISOLDIPINE) ERREGIERRE S.p.A. (IT) 2005-05-25 EP disclosed
WO-2004002958-A1 INDUSTRIAL PROCESS FOR THE SYNTHESIS OF ISOBUTYL METHYL 1,4-DIHYDRO-2,6-DIMETHYL-4-(2-NITROPHENYL)-3,5-PYRIDINE DICARBOXYLATE (NISOLDIPINE) ERREGIERRE, S.P.A. (IT) 2004-01-08 WO disclosed
WO-2004002958-A1 INDUSTRIAL PROCESS FOR THE SYNTHESIS OF ISOBUTYL METHYL 1,4-DIHYDRO-2,6-DIMETHYL-4-(2-NITROPHENYL)-3,5-PYRIDINE DICARBOXYLATE (NISOLDIPINE) ERREGIERRE, S.P.A. (IT) 2004-01-08 WO disclosed
CN-1042727-C Preparing for 2-acetoacetic ester XINHUA PHARMACEUTIC FACTORY SH (CN) 1999-03-31 CN disclosed
CN-1080631-A 2-(oil of mirbane methylene radical) acetylacetic ester method for making SHANDONG XINHUA PHARMACEUTIC F (CN) 1994-01-12 CN disclosed
US-4798840-A Coronary-active fluorine-containing 1,4-dihydropyridines BAYER AKTIENGESELLSCHAFT (DE) 1989-01-17 US disclosed
US-4757080-A Pharmaceuticals HEUMANN PHARMA GMBH & CO. (DE) 1988-07-12 US disclosed
US-4703119-A Intermediates of optically active 1,4-dihydropyridines BAYER AKTIENGESELLSCHAFT (DE) 1987-10-27 US disclosed
US-4154839-A INCREASING CORONARY PERFUSION BAYER AKTIENGESELLSCHAFT (DE) 1979-05-15 US disclosed