SCHEMBL10986381

SCHEMBL10986381

CCOC(=O)CC(=O)C=Cc1ccccc1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 2/20 0.53
BACE1 P56817 5/20 0.46
CNR2 P34972 1/20 0.43
GAA P10253 3/20 0.42
NLRP3 Q96P20 1/20 0.42
USP2 O75604 1/20 0.42
HAO1 Q9UJM8 1/20 0.41
RAB9A P51151 4/20 0.41
MAPT P10636 3/20 0.41
LMNA P02545 2/20 0.41
NPC1 O15118 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
DHODH Q02127 1/20 0.41
MGAM O43451 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
S1PR4 O95977 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL11779973 0.89 NFE2L2 (0.46) NFE2L2BACE1CNR2GAAUSP2
SCHEMBL10348523 0.87 MAPT (0.53) NFE2L2BACE1RAB9AMAPTLMNA
SCHEMBL10348525 0.87 MAPT (0.53) NFE2L2BACE1RAB9AMAPTLMNA
SCHEMBL11546813 0.86 NFE2L2 (0.51) NFE2L2BACE1RAB9AMAPTKDM4E
SCHEMBL11404780 0.86 NFE2L2 (0.48) NFE2L2BACE1GAARAB9AMAPT
SCHEMBL10823932 0.86 NPC1 (0.48) NFE2L2BACE1RAB9ALMNANPC1
SCHEMBL11546862 0.85 MAPT (0.56) NFE2L2NLRP3RAB9AMAPTLMNA
SCHEMBL11452416 0.85 NFE2L2 (0.45) NFE2L2BACE1GAARAB9AALDH1A1
SCHEMBL11791165 0.84 NFE2L2 (0.49) NFE2L2BACE1CNR2USP2HAO1
SCHEMBL10756384 0.84 NFE2L2 (0.78) NFE2L2BACE1RAB9AMAPTLMNA

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
US-4551467-A Vasodilating cyanoalkyl esters of 1,4-dihydropyridines BAYER AKTIENGESELLSCHAFT (DE) 1985-11-05 US disclosed
US-4532248-A Administering 1,4-dihydropyridine derivative exhibiting positive inotropic activity BAYER AKTIENGESELLSCHAFT (DE) 1985-07-30 US disclosed
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-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-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-3981893-A HYPOTENSIVE AGENTS, CARDIOVASCULAR DISORDERS BAYER AKTIENGESELLSCHAFT (DT) 1976-09-21 US disclosed
US-3966767-A CORONARY ACTION, ANTI-HYPERTENSIVE AGENTS BAYER AKTIENGESELLSCHAFT (DT) 1976-06-29 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-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
US-3932646-A CORONARY VASODILATORS, HYPOTENSIVE AGENTS FARBENFABRIKEN BAYER AG (DT) 1976-01-13 US disclosed