Benzene

Benzene

SCHEMBL28772136

CCCCCCCCOC(=O)c1cccc(CCCCCCCC)c1C(=O)O.c1ccccc1

nearest known ligand 0.62

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.62
ALDH1A1 P00352 3/20 0.62
LMNA P02545 2/20 0.62
BID P55957 4/20 0.60
MCL1 Q07820 4/20 0.60
PPARA Q07869 3/20 0.60
KAT8 Q9H7Z6 3/20 0.60
BCL2L1 Q07817 3/20 0.60
BAK1 Q16611 3/20 0.60
PPARG P37231 2/20 0.60
SAE1 Q9UBE0 2/20 0.60
EP300 Q09472 2/20 0.60
KAT5 Q92993 2/20 0.60
KAT2A Q92830 1/20 0.60
KAT2B Q92831 1/20 0.60
TP53 P04637 1/20 0.60
CYP3A4 P08684 1/20 0.60
MAPK1 P28482 1/20 0.60
KDM4E B2RXH2 3/20 0.56
HSD17B10 Q99714 2/20 0.56

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
Hexane SCHEMBL27655960 1.00 TSHR (0.62) TSHRALDH1A1LMNABIDMCL1
SCHEMBL9568678 1.00 TSHR (0.62) TSHRALDH1A1LMNABIDMCL1
SCHEMBL28854776 1.00 TSHR (0.62) TSHRALDH1A1LMNABIDMCL1
SCHEMBL1984830 1.00 TSHR (0.62) TSHRALDH1A1LMNABIDMCL1
SCHEMBL1982048 1.00 TSHR (0.62) TSHRALDH1A1LMNABIDMCL1
SCHEMBL21225342 1.00 TSHR (0.62) TSHRALDH1A1LMNABIDMCL1
Decane SCHEMBL28847603 1.00 TSHR (0.62) TSHRALDH1A1LMNABIDMCL1
SCHEMBL11582383 1.00 TSHR (0.62) TSHRALDH1A1LMNABIDMCL1
SCHEMBL2045733 1.00 TSHR (0.62) TSHRALDH1A1LMNABIDMCL1
Octane SCHEMBL27554014 1.00 TSHR (0.62) TSHRALDH1A1LMNABIDMCL1

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110316702-A Devulcanizer, hydrogen generating device and fuel cell system 松下知识产权经营株式会社 2019-10-11 CN claimed
CN-110316702-A Devulcanizer, hydrogen generating device and fuel cell system 松下知识产权经营株式会社 2019-10-11 CN disclosed
CN-110316702-A Devulcanizer, hydrogen generating device and fuel cell system 松下知识产权经营株式会社 2019-10-11 CN disclosed
CN-110088241-A Aromatic hydrogenation process using nickel-based catalyst IFP 新能源公司 2019-08-02 CN disclosed
CN-110072977-A Selective hydrogenation process using nickel-based catalysts produced using additives containing carboxylic acid functionality IFP 新能源公司 2019-07-30 CN disclosed
CN-110038575-A By mediating and impregnating the method for preparing specific selective hydrocatalyst IFP 新能源公司 2019-07-23 CN disclosed
CN-109642076-A Polyamide blend for laser sintering powder 巴斯夫欧洲公司 2019-04-16 CN disclosed
CN-109642094-A Composite material 巴斯夫欧洲公司 2019-04-16 CN disclosed
CN-109415487-A Stabilizer for brominated polymer fire retardant 溴化合物有限公司 2019-03-01 CN disclosed
CN-108884272-A Cellulose-containing resin combination and cellulose preparation 旭化成株式会社 2018-11-23 CN disclosed
CN-108368073-A Process for the epoxidation of olefins 赢创德固赛有限公司 2018-08-03 CN disclosed
CN-108064173-A Partial insulin receptor agonists 默沙东公司 2018-05-22 CN disclosed
CN-105984864-A Carbon porous body and manufacturing method and ammonia absorption material thereof 株式会社丰田中央研究所 2016-10-05 CN disclosed
CN-102076774-B Radiation-sensitive resin composition, laminate and method for producing the same, and semiconductor device ZEON CORP 2014-07-09 CN disclosed
CN-102365303-B Polymer, hydride of polymer, resin composition, resin film, and electronic component ZEON CORP 2014-02-26 CN disclosed
CN-103443707-A Resin composition and semiconductor element substrate ZEON CORP 2013-12-11 CN disclosed
CN-102365303-A Polymer, hydrogen additive, resin composition, resin film, and electronic component ZEON CORP 2012-02-29 CN disclosed
CN-102076774-A Radiation-sensitive resin composition, laminate and method for producing the same, and semiconductor device ZEON CORP 2011-05-25 CN disclosed
CN-101522301-A Process for regenerating ruthenium catalyst for hydrogenation of phthalates BASF AG (DE) 2009-09-02 CN disclosed
CN-101115777-A Method for the production of an aqueous polymer dispersion BASF AG (DE) 2008-01-30 CN disclosed