SCHEMBL6880786

SCHEMBL6880786

O=C1c2cccc3cccc(c23)C1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.45
CES2 O00748 1/20 0.45
BCHE P06276 1/20 0.45
CES1 P23141 1/20 0.45
MCL1 Q07820 1/20 0.45
ERCC1 P07992 1/20 0.42
FEN1 P39748 1/20 0.42
ERCC4 Q92889 1/20 0.42
TYMS P04818 4/20 0.42
PARP1 P09874 1/20 0.41
MEN1 O00255 6/20 0.40
KMT2A Q03164 6/20 0.40
PABPC1 P11940 2/20 0.40
RXFP1 Q9HBX9 2/20 0.40
CYP3A4 P08684 2/20 0.39
DNMT1 P26358 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
HSD17B10 Q99714 6/20 0.39
KDM4E B2RXH2 5/20 0.39

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
SCHEMBL20698681 0.92 ALDH1A1 (0.42) ALDH1A1CES2BCHECES1MCL1
SCHEMBL12726414 0.85 ALDH1A1 (0.56) ALDH1A1CES2BCHECES1MCL1
SCHEMBL17230351 0.78 HSD17B10 (0.51) ALDH1A1CES2BCHECES1MCL1
SCHEMBL22160031 0.78 ALDH1A1 (0.43) ALDH1A1CES2BCHECES1MCL1
SCHEMBL15906510 0.76 CYP2D6 (0.47) ALDH1A1MEN1KMT2ACYP3A4HSD17B10
SCHEMBL8363928 0.76 ALDH1A1 (0.45) ALDH1A1CES2BCHECES1MCL1
SCHEMBL7123021 0.76 ALDH1A1 (0.45) ALDH1A1CES2BCHECES1MCL1
SCHEMBL12486737 0.76 HEXA (0.41) ALDH1A1CES2BCHECES1MCL1
SCHEMBL10611039 0.76 HSD17B10 (0.43) ALDH1A1CES2BCHECES1MCL1
SCHEMBL21323946 0.75 ALDH1A1 (0.47) ALDH1A1CES1MCL1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9790484-B2 Silica encapsulated biomaterials REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2017-10-17 US disclosed
US-9716233-B2 Electronic device including a fluoranthene derivative E I DU PONT DE NEMOURS AND COMPANY (US) 2017-07-25 US disclosed
US-20140051144-A1 SILICA ENCAPSULATED BIOMATERIALS REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2014-02-20 US disclosed
WO-2012116013-A2 SILICA ENCAPSULATED BIOMATERIALS WACKETT LAWRENCE P (US) 2012-08-30 WO disclosed
CN-101492331-B Process for producing chiral 2-hydroxyl acenaphthenone compounds EAST CHINA UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2011-12-28 CN disclosed
CN-101492331-B Process for producing chiral 2-hydroxyl acenaphthenone compounds EAST CHINA UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2011-12-28 CN disclosed
CN-101492331-B Process for producing chiral 2-hydroxyl acenaphthenone compounds EAST CHINA UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2011-12-28 CN disclosed
CN-101492331-A Process for producing chiral 2-hydroxyl acenaphthenone compounds UNIV EAST CHINA SCIENCE & TECH (CN) 2009-07-29 CN disclosed
CN-101492331-A Process for producing chiral 2-hydroxyl acenaphthenone compounds UNIV EAST CHINA SCIENCE & TECH (CN) 2009-07-29 CN disclosed
CN-101492331-A Process for producing chiral 2-hydroxyl acenaphthenone compounds UNIV EAST CHINA SCIENCE & TECH (CN) 2009-07-29 CN disclosed
CN-1200915-C Process for preparing organic compound MITSUI CHEMICALS INC (JP) 2005-05-11 CN disclosed
CN-1190441-C Phosphine sulfide preparing process and use thereof MITSUI CHEMICALS INC (JP) 2005-02-23 CN disclosed
US-20040260039-A1 Process for producing organic compound epoxy resin composition, cured article obtained from the epoxy resin, and semiconductor device obtained with epoxy resin MITSUI CHEMICALS, INC. (JP) 2004-12-23 US disclosed
EP-0972776-B1 A phosphine sulfide, a manufacturing process therefor and a use thereof MITSUI CHEMICALS INC (JP) 2003-04-23 EP disclosed
EP-0950649-B1 A process for preparing oxyalkylene derivatives in the presence of phosphine oxides MITSUI CHEMICALS INC (JP) 2003-03-26 EP disclosed
US-6130346-A ESTERIFICATION, CARBONATION, SULFONATION, ETHERIFICATION MITSUI CHEMICALS, INC. (JP) 2000-10-10 US disclosed
EP-0972776-A1 A phosphine sulfide, a manufacturing process therefor and a use thereof Mitsui Chemicals, Inc. (JP) 2000-01-19 EP disclosed
CN-1235141-A Process for preparing organic compound MITSUI CHEMICALS INC (JP) 1999-11-17 CN disclosed
EP-0950649-A1 A process for preparing oxyalkylene derivatives in the presence of phosphine oxides Mitsui Chemicals, Inc. (JP) 1999-10-20 EP disclosed