SCHEMBL7270940

SCHEMBL7270940

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

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.64
NPSR1 Q6W5P4 1/20 0.64
GLO1 Q04760 2/20 0.62
LMNA P02545 4/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
PLIN1 O60240 1/20 0.56
POLB P06746 1/20 0.56
PLIN5 Q00G26 1/20 0.56
ABHD5 Q8WTS1 1/20 0.56
ALDH1A1 P00352 5/20 0.53
KDM4E B2RXH2 1/20 0.47
HSP90AA1 P07900 1/20 0.47
HPGD P15428 1/20 0.47
STAT3 P40763 1/20 0.47
RAB9A P51151 1/20 0.45
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL30553800 1.00 MAPT (0.64) MAPTNPSR1GLO1LMNAMEN1
SCHEMBL10386660 1.00 MAPT (0.64) MAPTNPSR1GLO1LMNAMEN1
SCHEMBL29043783 1.00 MAPT (0.64) MAPTNPSR1GLO1LMNAMEN1
SCHEMBL1373654 0.95 MAPT (0.71) MAPTNPSR1GLO1LMNAMEN1
SCHEMBL11459088 0.90 MAPT (0.64) MAPTNPSR1GLO1LMNAMEN1
SCHEMBL11013426 0.89 MAPT (0.57) MAPTNPSR1GLO1LMNAMEN1
SCHEMBL11013424 0.89 MAPT (0.57) MAPTNPSR1GLO1LMNAMEN1
SCHEMBL10377614 0.88 MAPT (0.59) MAPTNPSR1GLO1LMNAMEN1
SCHEMBL10377615 0.88 MAPT (0.59) MAPTNPSR1GLO1LMNAMEN1
SCHEMBL11107929 0.86 MAPT (0.59) MAPTNPSR1GLO1LMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-0114273-B1 NEW PHARMACOLOGICALLY ACTIVE PYRAZOLOPYRIDINES GRUPPO LEPETIT S.p.A. (IT) 1991-11-06 EP disclosed
US-4958024-A REACTION OF CARBAMATE SUBSTITUTED ACRYLIC ESTER, VASODILATORS, HYPOTENSIVE AGENTS BANYU PHARMACEUTICAL COMPANY, LTD. (JP) 1990-09-18 US disclosed
US-4954508-A HYPOTENSIVE GRUPPO LEPETIT S.P.A. (IT) 1990-09-04 US disclosed
US-4914227-A FOR VASODILATING AND HYPOTENSIVE AGENTS BANYU PHARMACEUTICAL COMPANY, LTD. (JP) 1990-04-03 US disclosed
US-4822798-A Circulation-active 4-phenyl-6-substituted dihydropyrimidines BAYER AKTIENGESELLSCHAFT (DE) 1989-04-18 US disclosed
US-4739106-A VASODILATION, HYPOTENSIVE AGENTS BANYU PHARMACEUTICAL CO., LTD. (JP) 1988-04-19 US disclosed
US-4727066-A CARDIOVASCULAR DISORDERS CERMOL S.A. (CH) 1988-02-23 US disclosed
EP-0101023-B1 PROCESS FOR PREPARING 2-CARBAMOYLOXYALKYL-1,4-DIHYDROPYRIDINE DERIVATIVES AND INTERMEDIATES USEFUL FOR THE PROCESS BANYU PHARMACEUTICAL CO., LTD. (JP) 1987-07-29 EP disclosed
US-4656181-A CARDIOTONIC AGENTS CERMOL S.A. (CH) 1987-04-07 US disclosed
US-4446325-A VASODILATION, HYPOTENSIVE AGENTS MARUKO SEIYAKU CO., LTD. (JP) 1984-05-01 US disclosed
EP-0101023-A1 Process for preparing 2-carbamoyloxyalkyl-1,4-dihydropyridine derivatives and intermediates useful for the process BANYU PHARMACEUTICAL CO., LTD. (JP) 1984-02-22 EP disclosed
US-4022898-A ANTIHYPERTENSIVE AGENTS, VASODILATORS BAYER AKTIENGESELLSCHAFT (DT) 1977-05-10 US disclosed
US-4001235-A HYPOTENSIVES, CORONARY VESSEL DILATORS BAYER AKTIENGESELLSCHAFT (DT) 1977-01-04 US disclosed
US-4001258-A HYPOTENSIVES, CORONARY VESSEL DILATORS BAYER AKTIENGESELLSCHAFT (DT) 1977-01-04 US disclosed
US-3971790-A VASODILATION, HYPOTENSIVE BAYER AKTIENGESELLSCHAFT (DT) 1976-07-27 US disclosed
US-3971791-A VASODILATION, HYPOTENSIVE BAYER AKTIENGESELLSCHAFT (DT) 1976-07-27 US disclosed
US-3946026-A HYPOTENSIVE AGENTS, CORONARY VESSEL DILATORS BAYER AKTIENGESELLSCHAFT (DT) 1976-03-23 US disclosed
US-3939171-A HYPOTENSIVE, VASODILATION BAYER AKTIENGESELLSCHAFT (DT) 1976-02-17 US disclosed
US-3935223-A 2-Amino-1,4-dihydropyridine derivatives BAYER AKTIENGESELLSCHAFT (DT) 1976-01-27 US disclosed