SCHEMBL2391683

SCHEMBL2391683

c1ccc(-c2cccc3c(-c4ccccc4)cccc23)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
HPGD P15428 3/20 0.52
HSD17B10 Q99714 2/20 0.52
MAPK1 P28482 2/20 0.52
BCL2L1 Q07817 1/20 0.52
CYP2A6 P11509 1/20 0.52
METAP2 P50579 1/20 0.52
TNF P01375 1/20 0.52
MAP4K4 O95819 1/20 0.50
CSF1R P07333 1/20 0.50
FGFR1 P11362 1/20 0.50
PDGFRA P16234 1/20 0.50
LTK P29376 1/20 0.50
KDR P35968 1/20 0.50
MAPK8 P45983 1/20 0.50
CSNK1A1 P48729 1/20 0.50
LIMK1 P53667 1/20 0.50
CDK5 Q00535 1/20 0.50
ACVR1 Q04771 1/20 0.50
TNK2 Q07912 1/20 0.50

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
SCHEMBL28322994 0.94 METAP2 (0.48) ALDH1A1HPGDHSD17B10MAPK1BCL2L1
SCHEMBL30080985 0.94 METAP2 (0.48) ALDH1A1HPGDHSD17B10MAPK1BCL2L1
SCHEMBL3415539 0.90 ALDH1A1 (0.53) ALDH1A1HPGDHSD17B10MAPK1BCL2L1
SCHEMBL29728323 0.90 ALDH1A1 (0.53) ALDH1A1HPGDHSD17B10MAPK1BCL2L1
SCHEMBL69345 0.89 TNF (0.61) ALDH1A1HPGDHSD17B10MAPK1CYP2A6
SCHEMBL29399206 0.89 TNF (0.61) ALDH1A1HPGDHSD17B10MAPK1CYP2A6
SCHEMBL27988223 0.89 TNF (0.61) ALDH1A1HPGDHSD17B10MAPK1CYP2A6
Methane SCHEMBL29181734 0.87 TNF (0.59) ALDH1A1HPGDHSD17B10MAPK1CYP2A6
Hydrogen Sulfide SCHEMBL29156136 0.87 TNF (0.59) ALDH1A1HPGDHSD17B10MAPK1CYP2A6
SCHEMBL27937443 0.87 TNF (0.59) ALDH1A1HPGDHSD17B10MAPK1CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105358541-B Chiral 4 benzodihydropyrone is formed using chiral pyrrolidine in the presence of phenol or thiophenol 帝斯曼知识产权资产管理有限公司 2017-11-03 CN claimed
CN-103524420-A Keratin dyeing compounds, keratin dyeing compositions containing said compounds, and use thereof PROCTER & GAMBLE 2014-01-22 CN claimed
CN-1819989-A 2-(amino or substituted amino)-5-(substituted oxymethyl)-phenol compounds, dyeing compositions containing them, and use thereof PROCTER & GAMBLE (US) 2006-08-16 CN claimed
CN-117120686-A Fiber treatment agent 花王株式会社 2023-11-24 CN disclosed
US-20230013038-A1 LIGHT EMITTING DEVICE AND AMINE COMPOUND FOR LIGHT EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2023-01-19 US disclosed
EP-3518304-A1 N-(((PHENYL)NAPHTHALEN-2-YL)PHENYL)-N-(PHENYL)-DIBENZOTHIOPHENAMINE, -DIBENZOFURANAMINE AND -9H-FLUORENYLAMINE DERIVATIVES AND RELATED COMPOUNDS FOR USE IN ORGANIC ELECTROLUMINESCENCE DEVICES Samsung Display Co., Ltd. (KR) 2019-07-31 EP disclosed
CN-109020961-A Antiviral compound 吉利德制药有限责任公司 2018-12-18 CN disclosed
CN-104230900-B Antiviral compound 吉利德制药有限责任公司 2018-10-19 CN disclosed
CN-103622842-B Delivery of particles 宝洁公司 2017-10-27 CN disclosed
CN-106588890-A Antiviral compounds 吉利德制药有限责任公司 2017-04-26 CN disclosed
CN-104211713-B Antiviral compounds 吉利德制药有限责任公司 2017-04-12 CN disclosed
CN-1486171-A Couplers for oxidative hair dyeing P&G克莱罗尔公司 2004-03-31 CN disclosed
CN-1486170-A Novel couplers for use in oxidative hair dyeing P&G 2004-03-31 CN disclosed
CN-1486172-A Primary intermediates for oxidative dyeing of hair P&G 2004-03-31 CN disclosed
CN-1477947-A Primary intermediates for oxidative dyeing of hair P&G 2004-02-25 CN disclosed
CN-1477948-A Novel couplers for oxidative hair dyeing P&G克莱罗尔公司 2004-02-25 CN disclosed
CN-1474680-A Novel couplers for oxidative hair dyeing P&G克莱罗尔公司 2004-02-11 CN disclosed
CN-1474679-A Novel couplers for oxidative hair dyeing P&G 2004-02-11 CN disclosed
CN-1474681-A Novel couplers for oxidative hair dyeing P&G克莱罗尔公司 2004-02-11 CN disclosed
CN-1449276-A Primary intermediates for oxidative dyeing of hair P & G CLAIROL INC (US) 2003-10-15 CN disclosed