SCHEMBL7414397

SCHEMBL7414397

COc1ccccc1C=C(C(C)=O)C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.59
KMT2A Q03164 3/20 0.59
KDM4E B2RXH2 3/20 0.59
MAPT P10636 3/20 0.59
PKM P14618 1/20 0.59
MEN1 O00255 1/20 0.59
PLIN1 O60240 1/20 0.59
POLB P06746 1/20 0.59
PLIN5 Q00G26 1/20 0.59
ABHD5 Q8WTS1 1/20 0.59
NFE2L2 Q16236 3/20 0.51
TFEB P19484 1/20 0.51
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
BCHE P06276 1/20 0.50
TRPA1 O75762 1/20 0.46
TDP1 Q9NUW8 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45

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
SCHEMBL9478629 1.00 LMNA (0.59) LMNAKMT2AKDM4EMAPTPKM
SCHEMBL8040501 0.91 LMNA (0.64) LMNAKMT2AKDM4EMAPTPKM
SCHEMBL998236 0.91 LMNA (0.64) LMNAKMT2AKDM4EMAPTPKM
SCHEMBL7415408 0.86 NFE2L2 (0.55) LMNAKMT2AKDM4EMAPTPKM
SCHEMBL10353470 0.85 MAPT (0.61) LMNAKMT2AKDM4EMAPTPKM
SCHEMBL11002399 0.85 MAPT (0.61) LMNAKMT2AKDM4EMAPTPKM
SCHEMBL10971775 0.83 KMT2A (0.46) LMNAKMT2AKDM4EMAPTPKM
SCHEMBL3626826 0.83 LMNA (0.62) LMNAKMT2AKDM4EMAPTPKM
SCHEMBL2066256 0.83 LMNA (0.62) LMNAKMT2AKDM4EMAPTPKM
SCHEMBL11763787 0.81 KDM4E (0.59) LMNAKMT2AKDM4EMAPTPKM

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5202330-A Hypotensive and cardiovascular agent, reduces blood pressure in mammals E. R. SQUIBB & SONS, INC. (US) 1993-04-13 US disclosed
EP-0126094-B1 NEW 1,4-DIHYDROPYRIDINE ESTERS AND PREPARATION METHODS THEREOF AND DRUGS CONTAINING SAID ESTERS CERMOL S.A. (CH) 1990-06-20 EP disclosed
EP-0204317-A2 2-Thio or oxo-4-aryl or heterocyclo-1,5(2H)-pyrimidinedicarboxylic acid diesters and 3-acyl-5-pyrimidinecarboxylic acids and esters E.R. Squibb & Sons, Inc. (US) 1986-12-10 EP disclosed
EP-0126094-A1 NEW 1,4-DIHYDROPYRIDINE ESTERS AND PREPARATION METHODS THEREOF AND DRUGS CONTAINING SAID ESTERS. CERMOL SA (CH) 1984-11-28 EP disclosed
WO-1984002132-A1 NEW 1,4-DIHYDROPYRIDINE ESTERS AND PREPARATION METHODS THEREOF AND DRUGS CONTAINING SAID ESTERS CERMOL SA (CH) 1984-06-07 WO disclosed