SCHEMBL11547347

SCHEMBL11547347

CCCOC(=O)CC(=O)C=Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.60
KMT2A Q03164 7/20 0.60
LMNA P02545 3/20 0.60
NPSR1 Q6W5P4 2/20 0.60
NPC1 O15118 1/20 0.60
RAB9A P51151 1/20 0.60
MAPT P10636 7/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
MAOB P27338 3/20 0.50
PTGS2 P35354 3/20 0.50
KDM4E B2RXH2 1/20 0.49
TP53 P04637 1/20 0.49
CYP1A2 P05177 1/20 0.48
HTT P42858 1/20 0.48
APEX1 P27695 1/20 0.48
MAPK1 P28482 1/20 0.47
ALDH1A1 P00352 3/20 0.47
MAOA P21397 2/20 0.47

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
SCHEMBL11548191 0.93 MEN1 (0.55) MEN1KMT2ALMNANPSR1NPC1
SCHEMBL9296378 0.91 MAOB (0.56) MEN1KMT2ALMNANPSR1NPC1
SCHEMBL10348526 0.91 MAOB (0.56) MEN1KMT2ALMNANPSR1NPC1
SCHEMBL10666431 0.85 GAA (0.57) MEN1KMT2ANPSR1MAPTSMN1; SMN2
SCHEMBL10544117 0.85 PTGS2 (0.63) MEN1KMT2ALMNANPSR1NPC1
SCHEMBL11801921 0.85 PTGS2 (0.63) MEN1KMT2ALMNANPSR1NPC1
SCHEMBL19244180 0.84 APP (0.58) MEN1KMT2ALMNANPSR1NPC1
SCHEMBL19244181 0.84 APP (0.58) MEN1KMT2ALMNANPSR1NPC1
SCHEMBL11155039 0.82 MAOB (0.55) MEN1KMT2ALMNANPSR1NPC1
SCHEMBL11155480 0.82 MAOB (0.55) MEN1KMT2ALMNANPSR1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4136187-A CORONARY VESSEL DILATORS BAYER AKTIENGESELLSCHAFT (DE) 1979-01-23 US disclosed
US-4053614-A 1,2-PENTAMETHYLENE-1,4-DIHYDROPYRIDINE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DT) 1977-10-11 US disclosed
US-4044141-A CORONARY DILATING, SPASMOLYTIC, HYPOTENSIVE AGENTS BAYER AKTIENGESELLSCHAFT (DT) 1977-08-23 US disclosed
US-4038399-A 1,4-DIHYDROPYRIDINE CARBOXYLIC ACID ESTERS USEFUL AS CORONARY VESSEL DILATORS AND ANTI-HYPERTENSIVES BAYER AKTIENGESELLSCHAFT (DT) 1977-07-26 US disclosed
US-4031104-A ANTIHYPERTENSIVE AGENTS BAYER AKTIENGESELLSCHAFT (DT) 1977-06-21 US disclosed
US-4024261-A HYPERTENSIVE AGENTS, CORONARY VESSEL DILATORS BAYER AKTIENGESELLSCHAFT (DT) 1977-05-17 US disclosed
US-4022898-A ANTIHYPERTENSIVE AGENTS, VASODILATORS BAYER AKTIENGESELLSCHAFT (DT) 1977-05-10 US disclosed
US-4004015-A Bicyclic derivatives of 1,4-dihydropyridine as antihypertensive agents and coronary vessel dilators BAYER AKTIENGESELLSCHAFT (DT) 1977-01-18 US disclosed
US-4001258-A HYPOTENSIVES, CORONARY VESSEL DILATORS BAYER AKTIENGESELLSCHAFT (DT) 1977-01-04 US disclosed
US-4001235-A HYPOTENSIVES, CORONARY VESSEL DILATORS BAYER AKTIENGESELLSCHAFT (DT) 1977-01-04 US disclosed
US-3951994-A HYPOTENSIVE, CORONARY VESSEL DILATORS BAYER AKTIENGESELLSCHAFT (DT) 1976-04-20 US disclosed
US-3951988-A HYPOTENSIVE, CORONARY VESSEL DILATORS BAYER AKTIENGESELLSCHAFT (DT) 1976-04-20 US disclosed
US-3948923-A HYPOTENSIVE, VASODILATION BAYER AKTIENGESELLSCHAFT (DT) 1976-04-06 US disclosed
US-3946028-A HYPOTENSIVE AGENTS, CORONARY VESSEL DILATORS BAYER AKTIENGESELLSCHAFT (DT) 1976-03-23 US disclosed
US-3946026-A HYPOTENSIVE AGENTS, CORONARY VESSEL DILATORS BAYER AKTIENGESELLSCHAFT (DT) 1976-03-23 US disclosed
US-3946027-A HYPOTENSIVE AGENTS, CORONARY VESSEL DILATORS BAYER AKTIENGESELLSCHAFT (DT) 1976-03-23 US disclosed
US-3943140-A HYPOTENSIVE, VASODILATION BAYER AKTIENGESELLSCHAFT (DT) 1976-03-09 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
US-3935220-A VASODILATION, HYPOTENSIVE BAYER AKTIENGESELLSCHAFT (DT) 1976-01-27 US disclosed