SCHEMBL11549758

SCHEMBL11549758

COCCOC(=O)/C(=C\c1ccccc1OC)C(C)=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.64
KMT2A Q03164 4/20 0.64
MAPT P10636 4/20 0.64
MEN1 O00255 1/20 0.64
PLIN1 O60240 1/20 0.64
POLB P06746 1/20 0.64
PLIN5 Q00G26 1/20 0.64
ABHD5 Q8WTS1 1/20 0.64
KDM4E B2RXH2 5/20 0.54
HSP90AA1 P07900 1/20 0.54
TSHR P16473 1/20 0.45
NFE2L2 Q16236 2/20 0.44
PKM P14618 1/20 0.44
TFEB P19484 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
ALDH1A1 P00352 3/20 0.41
GAA P10253 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CAPN1 P07384 2/20 0.41
CTSL P07711 2/20 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
SCHEMBL11549769 1.00 LMNA (0.64) LMNAKMT2AMAPTMEN1PLIN1
SCHEMBL10756378 0.86 KMT2A (0.86) LMNAKMT2AMAPTMEN1PLIN1
SCHEMBL15026368 0.86 KMT2A (0.86) LMNAKMT2AMAPTMEN1PLIN1
SCHEMBL10756388 0.86 KMT2A (0.86) LMNAKMT2AMAPTMEN1PLIN1
SCHEMBL11546810 0.85 MAPT (0.55) LMNAKMT2AMAPTMEN1PLIN1
SCHEMBL11546817 0.85 MAPT (0.55) LMNAKMT2AMAPTMEN1PLIN1
SCHEMBL7242738 0.84 CYP1A2 (0.55) LMNAKMT2AMAPTMEN1PLIN1
SCHEMBL7242741 0.84 CYP1A2 (0.55) LMNAKMT2AMAPTMEN1PLIN1
SCHEMBL15026459 0.84 MAPT (0.54) LMNAKMT2AMAPTMEN1PLIN1
SCHEMBL11002399 0.83 MAPT (0.61) LMNAKMT2AMAPTMEN1PLIN1

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
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-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-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