SCHEMBL5494664

SCHEMBL5494664

Cc1ccc2ccccc2c1.Cc1cccc2ccccc12

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 9/20 0.70
CYP1A2 P05177 8/20 0.70
ALDH1A1 P00352 5/20 0.68
TDP1 Q9NUW8 3/20 0.68
HSD17B10 Q99714 4/20 0.58
HPGD P15428 2/20 0.58
TSHR P16473 2/20 0.47
MAOA P21397 2/20 0.44
THRB P10828 1/20 0.43
MAOB P27338 1/20 0.43
GAA P10253 2/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
NOX1 Q9Y5S8 1/20 0.41
HIF1A Q16665 1/20 0.41
CYP1B1 Q16678 1/20 0.41
KDM4E B2RXH2 1/20 0.41

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
Biphenyl SCHEMBL28741741 0.93 CYP1A2 (0.61) CYP2A6CYP1A2ALDH1A1TDP1HSD17B10
SCHEMBL15224425 0.87 CYP1A2 (0.68) CYP2A6CYP1A2ALDH1A1TDP1HSD17B10
SCHEMBL6550685 0.86 CYP2A6 (0.88) CYP2A6CYP1A2ALDH1A1TDP1HSD17B10
O-Xylene SCHEMBL27875181 0.85 CYP2A6 (0.85) CYP2A6CYP1A2ALDH1A1TDP1HSD17B10
P-Xylene SCHEMBL7933376 0.85 CYP2A6 (0.85) CYP2A6CYP1A2ALDH1A1TDP1HSD17B10
Naphthalene SCHEMBL3447588 0.85 CYP2A6 (0.94) CYP2A6CYP1A2ALDH1A1TDP1HSD17B10
SCHEMBL588278 0.84 CYP1A2 (0.84) CYP2A6CYP1A2ALDH1A1TDP1HSD17B10
SCHEMBL16041938 0.84 CYP1A2 (0.80) CYP2A6CYP1A2ALDH1A1TDP1HSD17B10
SCHEMBL9614972 0.84 CYP1A2 (0.70) CYP2A6CYP1A2ALDH1A1TDP1HSD17B10
SCHEMBL15224424 0.84 CYP1A2 (0.59) CYP2A6CYP1A2ALDH1A1TDP1HSD17B10

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
CN-1059657-C Method for refining beta-methylnaphthalene from coal tar crude methylnaphthalene MEISHAN METALLURG CO SHANGHAI (CN) 2000-12-20 CN claimed
CN-1172096-A Method for refining beta-methylnaphthalene from coal tar crude methylnaphthalene MEISHAN METALLURG CO TECHNOLOG (CN) 1998-02-04 CN claimed
CN-103212214-B A kind of method of being produced beta-methylnaphthalene by coal tar wash oil continuous still ANSTEEL ENGINEERING TECHNOLOGY CORPORATION LIMITED (CN) 2016-02-03 CN disclosed
CN-102935292-B Method and device for removing indole from beta-methylnaphthalene SHANGHAI BAOSTEEL CHEMICAL CO 2015-01-07 CN disclosed
CN-103922884-A Single-furnace two-tower atmospheric and vacuum combination heavy benzol finish-machining method TANGSHAN BAOSHUN CHEMICAL CO LTD 2014-07-16 CN disclosed
CN-102935292-A Method and device for removing indole from beta-methylnaphthalene SHANGHAI BAOSTEEL CHEMICAL CO 2013-02-20 CN disclosed
CN-102604689-A Washing oil with low crystallization point for washing benzene and preparation method of washing oil XINYI CHEN 2012-07-25 CN disclosed
CN-100494132-C Method for preparing mixed methylnaphthalene by using C+10 heavy aromatic hydrocarbon as raw material CHANGSHU LIANBANG CHEMICAL IND (CN) 2009-06-03 CN disclosed
CN-101250078-A Method for preparing mixed methylnaphthalene by using C+10 heavy aromatic hydrocarbon as raw material CHANGSHU LIANBANG CHEMICAL IND (CN) 2008-08-27 CN disclosed
EP-1753842-A1 INHIBITOR ENHANCED THERMAL UPGRADING OF HEAVY OILS VIA MESOPHASE SUPPRESSION USING OIL SOLUBLE POLYNUCLEAR AROMATICS ExxonMobil Research and Engineering Company (US) 2007-02-21 EP disclosed
WO-2005113725-A1 INHIBITOR ENHANCED THERMAL UPGRADING OF HEAVY OILS VIA MESOPHASE SUPPRESSION USING OIL SOLUBLE POLYNUCLEAR AROMATICS EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2005-12-01 WO disclosed
CN-1059657-C Method for refining beta-methylnaphthalene from coal tar crude methylnaphthalene MEISHAN METALLURG CO SHANGHAI (CN) 2000-12-20 CN disclosed
CN-1048479-C Comprehensive utiligation process and apparatus for reformed carbon + heavy aromatics TIANJIN PETROCHEMICAL TECHNOLO (CN) 2000-01-19 CN disclosed
CN-1172096-A Method for refining beta-methylnaphthalene from coal tar crude methylnaphthalene MEISHAN METALLURG CO TECHNOLOG (CN) 1998-02-04 CN disclosed
EP-0511207-A1 A PROCESS FOR THE CATALYTIC DISPROPORTIONATION OF METHYLNAPHTHALENES. MOBIL OIL CORP (US) 1992-11-04 EP disclosed
EP-0511207-A4 A PROCESS FOR THE CATALYTIC DISPROPORTIONATION OF METHYLNAPHTHALENES. MOBIL OIL CORP (US) 1992-09-03 EP disclosed
US-4791235-A ADSORPTION ON ZEOLITE TYPE Y CONTAINING ALKALI METAL OR ZINC, DESORPTION, CRYSTALLIZATION MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JP) 1988-12-13 US disclosed
US-4432225-A For analyzing a sample of vaporizable molecules THE UNITED STATES OF AMERICA AS REPRESENTED BY THE UNITED STATES DEPARTMENT OF ENERGY (US) 1984-02-21 US disclosed
US-4293436-A Autofluorogram and composition and method for making the same NEW ENGLAND NUCLEAR CORPORATION (US) 1981-10-06 US disclosed