SCHEMBL11549362

SCHEMBL11549362

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAM P19021 1/20 0.45
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
ALDH1A1 P00352 4/20 0.40
HPGD P15428 4/20 0.40
LMNA P02545 3/20 0.40
MAPT P10636 3/20 0.40
MAPK1 P28482 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
TLR9 Q9NR96 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
MITF O75030 1/20 0.40
HSP90AA1 P07900 1/20 0.40
PKM P14618 1/20 0.40
KDM4E B2RXH2 2/20 0.40
GLA P06280 1/20 0.40
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40

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
SCHEMBL10891880 0.76 PAM (0.61) PAMMEN1KMT2ACTDSP1ALDH1A1
SCHEMBL10891882 0.76 PAM (0.61) PAMMEN1KMT2ACTDSP1ALDH1A1
SCHEMBL11546992 0.75 PAM (0.46) PAMMEN1KMT2ACTDSP1ALDH1A1
SCHEMBL11549349 0.75 KMT2A (0.49) MEN1KMT2AALDH1A1HPGDLMNA
SCHEMBL4875949 0.75 MEN1 (0.58) PAMMEN1KMT2ACTDSP1ALDH1A1
SCHEMBL4875955 0.75 MEN1 (0.58) PAMMEN1KMT2ACTDSP1ALDH1A1
SCHEMBL2290481 0.74 MEN1 (0.50) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL7654904 0.72 MEN1 (0.50) PAMMEN1KMT2ACTDSP1ALDH1A1
SCHEMBL7654911 0.72 MEN1 (0.50) PAMMEN1KMT2ACTDSP1ALDH1A1
SCHEMBL7490894 0.71 GRIK1 (0.49) PAMMEN1KMT2ACTDSP1ALDH1A1

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
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-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-3996234-A CORONARY VESSEL DILATORS, HYPOTENSIVES BAYER AKTIENGESELLSCHAFT (DT) 1976-12-07 US disclosed
US-3971791-A VASODILATION, HYPOTENSIVE BAYER AKTIENGESELLSCHAFT (DT) 1976-07-27 US disclosed
US-3971790-A VASODILATION, HYPOTENSIVE BAYER AKTIENGESELLSCHAFT (DT) 1976-07-27 US disclosed
US-3959292-A HYPOTENSIVE AGENTS, CORONARY DILATORS BAYER AKTIENGESELLSCHAFT (DT) 1976-05-25 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-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-3935220-A VASODILATION, HYPOTENSIVE BAYER AKTIENGESELLSCHAFT (DT) 1976-01-27 US disclosed
US-3935223-A 2-Amino-1,4-dihydropyridine derivatives BAYER AKTIENGESELLSCHAFT (DT) 1976-01-27 US disclosed