SCHEMBL3468774

SCHEMBL3468774

Nc1ccc2c(c1CCO)OCO2

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 4/20 0.44
BAD Q92934 2/20 0.39
TAAR1 Q96RJ0 1/20 0.35
ADRA2A P08913 1/20 0.33
CYP3A4 P08684 3/20 0.33
TXNRD1 Q16881 1/20 0.33
TXNRD3 Q86VQ6 1/20 0.33
TXNRD2 Q9NNW7 1/20 0.33
CYP2D6 P10635 1/20 0.33
HDAC1 Q13547 2/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC3 O15379 1/20 0.31
CALM1 P0DP23 1/20 0.31
SLC6A4 P31645 1/20 0.31
HTR3E A5X5Y0 1/20 0.31
HTR3B O95264 1/20 0.31
HTR3A P46098 1/20 0.31
HTR3D Q70Z44 1/20 0.31
HTR3C Q8WXA8 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
SCHEMBL31650021 1.00 AOC3 (0.44) AOC3BADTAAR1ADRA2ACYP3A4
SCHEMBL17912769 0.79 AOC3 (0.44) AOC3BADTAAR1TXNRD1TXNRD3
SCHEMBL4960710 0.77 BAD (0.39) AOC3BADTAAR1ADRA2ACYP3A4
SCHEMBL6646111 0.75 GSK3B (0.44) AOC3CALM1
SCHEMBL460054 0.72 TDP1 (0.38) CYP3A4
SCHEMBL12613198 0.72 AOC3 (0.42) AOC3TAAR1CYP3A4TXNRD1TXNRD3
SCHEMBL2195125 0.71 NQO2 (0.42) AOC3BADTAAR1CYP3A4TXNRD1
SCHEMBL11547575 0.71 TXNRD1 (0.39) AOC3BADTAAR1CYP3A4TXNRD1
SCHEMBL232439 0.71 AOC3 (0.49) AOC3BADCYP3A4TXNRD1TXNRD3
Hydrochloric Acid SCHEMBL30749426 0.70 TXNRD1 (0.38) AOC3BADTAAR1CYP3A4TXNRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107595671-A The dyeing of condensation polymer comprising oxirane and expoxy propane and/or bleaching composition 莱雅公司 2018-01-19 CN disclosed
CN-106890106-A The dyeing of the condensation polymer comprising oxirane and expoxy propane and/or bleaching composition 莱雅公司 2017-06-27 CN disclosed
CN-104018364-B Cationic oligomeric azo dyes 巴斯夫欧洲公司 2017-01-11 CN disclosed
CN-102245714-B Polymeric hair dyes BASF SE 2014-09-24 CN disclosed
CN-104018364-A Cationic oligomeric azo dyes CIBA SC HOLDING AG 2014-09-03 CN disclosed
CN-101326244-B Triarylmethane dyes CIBA SPEC CHEM CORP 2013-07-24 CN disclosed
CN-101300309-B Dyes containing a thiol group CIBA SPEC CHEM CORP 2013-01-16 CN disclosed
CN-101325986-B Oxazine disulfide dyes CIBA SPEC CHEM CORP 2012-12-26 CN disclosed
CN-101283051-B Xanthene dyes CIBA SPEC CHEM CORP 2012-10-10 CN disclosed
CN-101326246-B Mixture of sulfide dyes CIBA SC HOLDING AG 2012-09-05 CN disclosed
CN-101300309-A Dyes containing a thiol group CIBA HOLDING INC (CH) 2008-11-05 CN disclosed
CN-101283051-A Xanthene dyes CIBA HOLDING INC (CH) 2008-10-08 CN disclosed
CN-101253181-A Pyrido-thiazinium dyes CIBA SC HOLDING AG (CH) 2008-08-27 CN disclosed
CN-101243139-A Styryl sulfide dyes CIBA SC HOLDING AG (CH) 2008-08-13 CN disclosed
CN-101208392-A Sulfide dyes CIBA SC HOLDING AG (CH) 2008-06-25 CN disclosed
CN-101203573-A Nitrosulfide dyes CIBA SC HOLDING AG (CH) 2008-06-18 CN disclosed
CN-101198310-A Cationic oligomeric azo dyes CIBA SC HOLDING AG (CH) 2008-06-11 CN disclosed
EP-1660032-A1 COMPOSITION FOR DYEING HUMAN KERATIN FIBRES, COMPRISING A 1H-PYRAZOLYL-ETHENYL-INDOLIUM DERIVATIVE L'OREAL (FR) 2006-05-31 EP disclosed
WO-2005013929-A1 COMPOSITION FOR DYEING HUMAN KERATIN FIBRES, COMPRISING A 1H-PYRAZOLYL-ETHENYL-INDOLIUM DERIVATIVE L'OREAL (FR) 2005-02-17 WO disclosed
CN-1556839-A Cationic reactive dyes 西巴特殊化学品控股有限公司 2004-12-22 CN disclosed