SCHEMBL4608087

SCHEMBL4608087

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

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.66
NPSR1 Q6W5P4 1/20 0.66
MAOB P27338 1/20 0.50
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
KDM4E B2RXH2 1/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
GLO1 Q04760 1/20 0.47
ALDH1A1 P00352 3/20 0.46
ATM Q13315 1/20 0.46
PKM P14618 1/20 0.45
GPR55 Q9Y2T6 1/20 0.45
ERN1 O75460 1/20 0.45
FBP1 P09467 1/20 0.44
CYP1A2 P05177 1/20 0.43

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
SCHEMBL9475614 1.00 MAPT (0.66) MAPTNPSR1MAOBMEN1KMT2A
SCHEMBL4608086 1.00 MAPT (0.66) MAPTNPSR1MAOBMEN1KMT2A
SCHEMBL4608089 1.00 MAPT (0.66) MAPTNPSR1MAOBMEN1KMT2A
SCHEMBL8038703 0.92 MAPT (0.71) MAPTNPSR1MAOBMEN1KMT2A
SCHEMBL7829312 0.90 MAPT (0.69) MAPTNPSR1MAOBMEN1KMT2A
SCHEMBL7829304 0.90 MAPT (0.69) MAPTNPSR1MAOBMEN1KMT2A
Propylene Glycol SCHEMBL1639493 0.87 MAPT (0.52) MAPTNPSR1MAOBMEN1KMT2A
SCHEMBL8464902 0.87 MAPT (0.61) MAPTNPSR1MAOBMEN1KMT2A
SCHEMBL8464899 0.87 MAPT (0.61) MAPTNPSR1MAOBMEN1KMT2A
SCHEMBL7250786 0.86 MAPT (0.64) MAPTNPSR1MAOBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104557678-B Method for preparing aranidipine 丹阳恒安化学科技研究所有限公司 2017-05-17 CN claimed
CN-104557678-A Method for preparing aranidipine DANYANG HENGAN CHEMICAL SCIENCE AND TECHNOLOGY INST CO LTD 2015-04-29 CN 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 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
CN-116287032-A Method for preparing 3-oxo-ethyl butyrate derivative by reacting aromatic aldehyde with ethyl acetoacetate under enzyme catalysis 岭南师范学院 2023-06-23 CN disclosed
CN-104557678-B Method for preparing aranidipine 丹阳恒安化学科技研究所有限公司 2017-05-17 CN disclosed
CN-104557678-A Method for preparing aranidipine DANYANG HENGAN CHEMICAL SCIENCE AND TECHNOLOGY INST CO LTD 2015-04-29 CN disclosed
US-5202330-A Hypotensive and cardiovascular agent, reduces blood pressure in mammals E. R. SQUIBB & SONS, INC. (US) 1993-04-13 US disclosed
EP-0126094-B1 NEW 1,4-DIHYDROPYRIDINE ESTERS AND PREPARATION METHODS THEREOF AND DRUGS CONTAINING SAID ESTERS CERMOL S.A. (CH) 1990-06-20 EP disclosed
US-4728652-A VASODILATORS E. R. SQUIBB & SONS, INC. (US) 1988-03-01 US disclosed
US-4689414-A 2-(substituted imino)-6-aryl-3,6-dihydro-4-substituted-1,5(2H)-pyrimidinecarboxylic acids and analogs E. R. SQUIBB & SONS, INC. (US) 1987-08-25 US disclosed
EP-0208964-A2 1,5-Benzothiazepine compounds E.R. Squibb & Sons, Inc. (US) 1987-01-21 EP disclosed
EP-0204317-A2 2-Thio or oxo-4-aryl or heterocyclo-1,5(2H)-pyrimidinedicarboxylic acid diesters and 3-acyl-5-pyrimidinecarboxylic acids and esters E.R. Squibb & Sons, Inc. (US) 1986-12-10 EP disclosed
EP-0202654-A2 5-Carboxy-1,4-dihydropyrimidine derivatives E.R. Squibb & Sons, Inc. (US) 1986-11-26 EP disclosed
EP-0126094-A1 NEW 1,4-DIHYDROPYRIDINE ESTERS AND PREPARATION METHODS THEREOF AND DRUGS CONTAINING SAID ESTERS. CERMOL SA (CH) 1984-11-28 EP disclosed
WO-1984002132-A1 NEW 1,4-DIHYDROPYRIDINE ESTERS AND PREPARATION METHODS THEREOF AND DRUGS CONTAINING SAID ESTERS CERMOL SA (CH) 1984-06-07 WO disclosed