SCHEMBL828194

SCHEMBL828194

C=Cc1c(-c2ccccc2)ccc(-c2ccccc2)c1-c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.37
TSHR P16473 1/20 0.37
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
BACE1 P56817 1/20 0.34
ALOX5 P09917 1/20 0.34
HSD17B10 Q99714 2/20 0.33
HPGD P15428 1/20 0.33
BCL2L1 Q07817 1/20 0.33
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
CYP2A6 P11509 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
MAPK1 P28482 1/20 0.33
CASP3 P42574 1/20 0.31
SENP8 Q96LD8 1/20 0.31

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
SCHEMBL772275 0.89 PTGS2 (0.38) ALDH1A1LMNAMAPTHTTHPGD
SCHEMBL27898117 0.86 ALDH1A1 (0.43) ALDH1A1TSHRBACE1ALOX5HSD17B10
SCHEMBL28992715 0.86 ALDH1A1 (0.33) ALDH1A1TSHRLMNAMAPTHTT
SCHEMBL987334 0.84 ALDH1A1 (0.42) ALDH1A1TSHRLMNAMAPTHTT
SCHEMBL30557951 0.84 BACE1 (0.43) ALDH1A1MAPTBACE1ALOX5HSD17B10
SCHEMBL29044990 0.84 ALDH1A1 (0.32) ALDH1A1TSHRLMNAMAPTHTT
SCHEMBL8759097 0.79 ALDH1A1 (0.42) ALDH1A1TSHRBACE1HSD17B10HPGD
SCHEMBL27763812 0.79 BACE1 (0.37) ALDH1A1TSHRLMNAMAPTHTT
SCHEMBL4069489 0.77 ALDH1A1 (0.36) ALDH1A1TSHRLMNAMAPTHTT
SCHEMBL31432621 0.77 ALDH1A1 (0.37) ALDH1A1TSHRLMNABACE1ALOX5

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 84 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101889959-A Be used to improve the encapsulated fluorescent whitening compositions of appearance CIBA SC HOLDING AG 2010-11-24 CN claimed
CN-1993099-A Encapsulated fluorescent whitening compositions for enhancing surface appearance CIBA SC HOLDING AG (CH) 2007-07-04 CN claimed
CN-1215046-A Sulfonated diphenyl vinyl-biphenyl compound CIBA GEIGY AG (DE) 1999-04-28 CN claimed
CN-106827739-A Crack detection multilayer tablet and its manufacture method, crack detection multilayer tablet volume, wall processing method and concrete body 惠和株式会社 2017-06-13 CN disclosed
CN-103459720-B Compositions of fluorescent whitening agents BLANKOPHOR GMBH & CO.KG (DE) 2015-12-23 CN disclosed
CN-102958906-B Novel organic electroluminescent compounds and use the Organnic electroluminescent device of this compound ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2015-11-25 CN disclosed
CN-104969092-A Optical material and use thereof MITSUI CHEMICALS INC 2015-10-07 CN disclosed
CN-102597373-B Disulfo-type fluorescent whitening agent compositions BLANKOPHOR GMBH & CO.KG (DE) 2015-09-30 CN disclosed
CN-104334705-A Compositions comprising granules of phthalocyanines BASF SE 2015-02-04 CN disclosed
CN-104145012-A USE OF ACRYLATE COPOLYMERS AS SOIL ANTIREDEPOSITION AGENTS AND SOIL RELEASE AGENTS IN LAUNDRY PROCESSES BASF SE 2014-11-12 CN disclosed
CN-104105786-A Use of comb or block copolymers as soil antiredeposition agents and soil release agents in laundry processes BASF SE 2014-10-15 CN disclosed
CN-1993099-A Encapsulated fluorescent whitening compositions for enhancing surface appearance CIBA SC HOLDING AG (CH) 2007-07-04 CN disclosed
CN-1306017-C Use of metal complex compounds as oxidation catalysts CIBA SC HOLDING AG (CH) 2007-03-21 CN disclosed
CN-1863900-A Color tone changing composition CIBA SC HOLDING AG (CH) 2006-11-15 CN disclosed
CN-1668730-A Use of metal complex compounds as oxidation catalysts CIBA SC HOLDING AG (CH) 2005-09-14 CN disclosed
EP-1542869-A2 MOLECULAR SCALE ELECTRONIC DEVICES Yale University (US) 2005-06-22 EP disclosed
EP-1542869-A4 MOLECULAR SCALE ELECTRONIC DEVICES UNIV YALE (US) 2005-06-22 EP disclosed
US-6756605-B1 Molecular scale electronic devices YALE UNIVERSITY 2004-06-29 US disclosed
WO-2001027972-A9 MOLECULAR SCALE ELECTRONIC DEVICES UNIV YALE (US) 2002-11-14 WO disclosed
WO-2001027972-A2 MOLECULAR SCALE ELECTRONIC DEVICES YALE UNIVERSITY (US) 2001-04-19 WO disclosed