SCHEMBL4256312

SCHEMBL4256312

C=CC(=O)c1ccc(C(=O)C=C)cc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH5A1 P51649 1/20 0.80
ABAT P80404 1/20 0.80
AKT1 P31749 1/20 0.75
THRB P10828 9/20 0.61
THRA P10827 6/20 0.59
ALDH1A1 P00352 6/20 0.58
KMT2A Q03164 4/20 0.58
MAPT P10636 4/20 0.58
MEN1 O00255 3/20 0.58
PKM P14618 3/20 0.58
TDP1 Q9NUW8 3/20 0.58
HPGD P15428 3/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
MAPK1 P28482 2/20 0.58
TP53 P04637 2/20 0.58
KDM4E B2RXH2 1/20 0.58
EGFR P00533 1/20 0.58
CYP3A4 P08684 1/20 0.58
ALOX15 P16050 1/20 0.58
ALOX12 P18054 1/20 0.58

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
SCHEMBL10772833 0.92 ALDH5A1 (0.70) ALDH5A1ABATAKT1THRBTHRA
SCHEMBL4315033 0.92 ALDH5A1 (0.70) ALDH5A1ABATAKT1THRBTHRA
SCHEMBL6308381 0.89 ALDH5A1 (0.67) ALDH5A1ABATAKT1THRBTHRA
SCHEMBL2394894 0.89 ALDH5A1 (1.00) ALDH5A1ABATAKT1THRBTHRA
SCHEMBL5090352 0.89 AKT1 (0.70) ALDH5A1ABATAKT1THRBTHRA
SCHEMBL6274310 0.89 ALDH5A1 (0.67) ALDH5A1ABATAKT1THRBTHRA
SCHEMBL25265415 0.87 ALDH5A1 (0.64) ALDH5A1ABATAKT1THRBTHRA
Vinyl Ether SCHEMBL8030936 0.87 ALDH5A1 (0.64) ALDH5A1ABATAKT1THRBTHRA
SCHEMBL1224122 0.87 ALDH5A1 (0.64) ALDH5A1ABATAKT1THRBTHRA
SCHEMBL12642559 0.87 ALDH5A1 (0.64) ALDH5A1ABATAKT1THRBTHRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-58099457-A None JP disclosed
US-20090053616-A1 HOLOGRAPHIC RECORDING MEDIUM KABUSHIKI KAISHA TOSHIBA 2009-02-26 US disclosed
EP-0215543-B1 A NEW PROCESS FOR MAKING POLYESTERS, POLYAMIDES AND POLYKETONES THE DOW CHEMICAL COMPANY (US) 1990-04-11 EP disclosed
EP-0170923-B1 RESIN COMPOSITION AND LAMINATE PRODUCED THEREFROM HITACHI, LTD. (JP) 1989-12-27 EP disclosed
US-4587162-A Resin composition and laminate produced therefrom comprising a cyclized polybutadiene and a prepolymer of a isocyanuric or cyanuric acid derivative HITACHI, LTD. (JP) 1986-05-06 US disclosed
EP-0170923-A1 Resin composition and laminate produced therefrom HITACHI, LTD. (JP) 1986-02-12 EP disclosed
JP-S5899457-A PHENYLENEBIS(ALPHA-CYANOBUTADIENECARBOXYLIC ACID) OR ITS DERIVATIVE AND ITS PREPARATION TEIJIN LTD 1983-06-13 JP disclosed