SCHEMBL8758317

SCHEMBL8758317

O=C1C(=O)c2c3ccccc3cc3cccc1c23.O=C1c2ccccc2C(=O)c2cc3ccccc3cc21

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.84
DNMT1 P26358 2/20 0.51
CASP1 P29466 3/20 0.47
PABPC1 P11940 2/20 0.47
CASP7 P55210 2/20 0.47
CYP3A4 P08684 1/20 0.47
ALDH1A1 P00352 3/20 0.44
MCL1 Q07820 2/20 0.44
CES2 O00748 1/20 0.44
BCHE P06276 1/20 0.44
HPGD P15428 2/20 0.42
TSHR P16473 2/20 0.42
MAPK1 P28482 2/20 0.42
HIF1A Q16665 2/20 0.42
HSD17B10 Q99714 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAPT P10636 2/20 0.41
KDM4E B2RXH2 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GPR84 Q9NQS5 3/20 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
SCHEMBL579274 0.92 CES1 (1.00) CES1DNMT1CASP1PABPC1CASP7
SCHEMBL2156357 0.92 CES1 (1.00) CES1DNMT1CASP1PABPC1CASP7
SCHEMBL29773016 0.78 CES1 (0.73) CES1DNMT1CASP1PABPC1CASP7
SCHEMBL31619723 0.77 CES1 (0.72) CES1DNMT1CASP1PABPC1CASP7
SCHEMBL4847583 0.76 CES1 (0.61) CES1DNMT1CASP1CASP7ALDH1A1
SCHEMBL14257654 0.76 CES1 (0.64) CES1DNMT1CASP1PABPC1CASP7
SCHEMBL652915 0.75 MEN1 (0.60) CES1DNMT1CASP1PABPC1CASP7
SCHEMBL236156 0.75 MEN1 (0.67) CES1DNMT1CASP1PABPC1CASP7
SCHEMBL30327427 0.75 MEN1 (0.67) CES1DNMT1CASP1PABPC1CASP7
SCHEMBL29867916 0.75 MEN1 (0.67) CES1DNMT1CASP1PABPC1CASP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0772656-A2 ACRYLIC SYRUP CURABLE TO A CROSSLINKED VISCOELASTOMERIC MATERIAL MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1997-05-14 EP disclosed
WO-1996005249-A2 ACRYLIC SYRUP CURABLE TO A CROSSLINKED VISCOELASTOMERIC MATERIAL MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1996-02-22 WO disclosed