SCHEMBL5377159

SCHEMBL5377159

Oc1ccc(-c2ccc3c(c2)OCO3)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.69
CA12 O43570 1/20 0.56
CA2 P00918 1/20 0.56
CA9 Q16790 1/20 0.56
ALOX5 P09917 1/20 0.53
KIF11 P52732 1/20 0.51
PPARG P37231 1/20 0.50
PPARD Q03181 1/20 0.50
PPARA Q07869 1/20 0.50
GABRA1 P14867 1/20 0.49
GABRB2 P47870 1/20 0.49
PTPRC P08575 1/20 0.49
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
SRC P12931 1/20 0.47
ALDH1A1 P00352 1/20 0.47
POLB P06746 1/20 0.47
MAPT P10636 1/20 0.47

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
SCHEMBL28163962 0.98 CYP3A4 (0.67) CYP3A4CA12CA2CA9ALOX5
SCHEMBL28076730 0.88 ALOX5 (0.69) CYP3A4ALOX5NPC1RAB9AMEN1
SCHEMBL1690034 0.86 CYP3A4 (0.61) CYP3A4CA12CA2CA9ALOX5
SCHEMBL2692579 0.83 CA12 (0.59) CYP3A4CA12CA2CA9KIF11
SCHEMBL20959 0.82 CYP3A4 (1.00) CYP3A4PPARGPPARDPPARANPC1
SCHEMBL22162812 0.82 CA12 (0.58) CYP3A4CA12CA2CA9ALOX5
SCHEMBL29510426 0.82 CYP3A4 (1.00) CYP3A4PPARGPPARDPPARANPC1
SCHEMBL6067972 0.81 CYP3A4 (0.66) CYP3A4CA12CA2CA9ALOX5
SCHEMBL30009937 0.81 PTGS2 (0.66) CA12CA2CA9KIF11PTPRC
SCHEMBL404584 0.81 PTGS2 (0.66) CA12CA2CA9KIF11PTPRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106236606-A Stench offsets compositions 国际香料和香精公司 2016-12-21 CN claimed
CN-100349886-C 1, 3-dihydroxybenzene derivatives and coloring agents containing the same WELLA AG (US) 2007-11-21 CN claimed
CN-1205179-C (P-aminohydroxyphenyl) acrylamide derivatives and coloring agents containing the same P & G CLAROLL CORP (US) 2005-06-08 CN claimed
CN-1498100-A Method and composition for gradual permanent coloring of hair 荷兰联合利华有限公司 2004-05-19 CN claimed
CN-1437578-A (P-amino-hyaroxyphenyl)-acrylamide derivatives and dyes containing said compounds WELLA AG (DE) 2003-08-20 CN claimed
CN-1341113-A Process for production of paroxetine RECORDATI CHEM PHARM (CH) 2002-03-20 CN claimed
CN-1282317-A Novel P-aminophenol derivatives and use thereof HENKEL KGAA (DE) 2001-01-31 CN claimed
CN-108670871-A A kind of hair dye and its application method 花安堂生物科技集团有限公司 2018-10-19 CN disclosed
CN-108042396-A A kind of double-formulation composition for hair dying and preparation method thereof 花安堂生物科技集团有限公司 2018-05-18 CN disclosed
CN-104768617-B Method for straightening and dyeing hair 花王株式会社 2018-03-20 CN disclosed
CN-107049841-A A kind of permanent type composition for hair dying 广州市花安堂生物科技有限公司 2017-08-18 CN disclosed
CN-106946841-A The manufacture method of high-purity phenolic compound 宇部兴产株式会社 2017-07-14 CN disclosed
CN-106236606-A Stench offsets compositions 国际香料和香精公司 2016-12-21 CN disclosed
CN-1437578-A (P-amino-hyaroxyphenyl)-acrylamide derivatives and dyes containing said compounds WELLA AG (DE) 2003-08-20 CN disclosed
WO-2002100813-A2 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS ELI LILLY AND COMPANY (US) 2002-12-19 WO disclosed
CN-1341113-A Process for production of paroxetine RECORDATI CHEM PHARM (CH) 2002-03-20 CN disclosed
CN-1282317-A Novel P-aminophenol derivatives and use thereof HENKEL KGAA (DE) 2001-01-31 CN disclosed
CN-1265578-A Dyes HENKEL KGAA (DE) 2000-09-06 CN disclosed
CN-1248250-A Novel 1,4-diazacycloheptane derivatives and their use in hair oxidation dyes HENKEL KGAA (DE) 2000-03-22 CN disclosed
CN-1052674-A New heterogeneous ring compound NOVO NORDISK AS (DK) 1991-07-03 CN disclosed