Benzene

Benzene

SCHEMBL3440179

c1ccc(CCc2ccccc2)cc1.c1ccccc1

nearest known ligand 0.69

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.69
HPGD P15428 1/20 0.69
ALOX15 P16050 1/20 0.69
ALOX12 P18054 1/20 0.69
CASP1 P29466 1/20 0.69
HSD17B10 Q99714 1/20 0.69
MAOA P21397 4/20 0.67
MAOB P27338 3/20 0.67
TDP1 Q9NUW8 2/20 0.65
TAAR1 Q96RJ0 2/20 0.65
CYP2A6 P11509 1/20 0.65
HTR2A P28223 1/20 0.65
SMN1; SMN2 Q16637 1/20 0.65
LOXL2 Q9Y4K0 1/20 0.65
KCNH2 Q12809 1/20 0.60
CALM1 P0DP23 1/20 0.60
FFAR1 O14842 1/20 0.57
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
SIGMAR1 Q99720 1/20 0.55

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
SCHEMBL62125 1.00 ALDH1A1 (0.69) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL9741303 1.00 ALDH1A1 (0.69) ALDH1A1HPGDALOX15ALOX12CASP1
Hydrogen Sulfide SCHEMBL5468201 0.96 ALDH1A1 (0.65) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL742615 0.96 ALDH1A1 (0.65) ALDH1A1HPGDALOX15ALOX12CASP1
Iodide SCHEMBL9705905 0.96 ALDH1A1 (0.65) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL25402413 0.96 ALDH1A1 (0.65) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL7899313 0.96 ALDH1A1 (0.65) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL1793454 0.96 ALDH1A1 (0.65) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL55138 0.96 MAOB (0.72) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL25403475 0.96 ALDH1A1 (0.65) ALDH1A1HPGDALOX15ALOX12CASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107057387-A It is a kind of to refine road mix asphalt of tar sand and preparation method thereof altogether containing kerosene 陕西省石油化工研究设计院 2017-08-18 CN claimed
CN-100463889-C Two-step method for producing butanediol with intermediate removal of succinic anhydride BASF AG (DE) 2009-02-25 CN claimed
CN-1297034-C Nonaqueous electrolyte and secondary cell using the same NIPPON STEEL CHEMICAL CO (JP) 2007-01-24 CN claimed
CN-1294110-C Process for preparing 1, 4-butanediol by combined gas-phase and liquid-phase hydrogenation BASF AG (DE) 2007-01-10 CN claimed
CN-1643725-A Nonaqueous electrolyte solution and secondary battery using same NIPPON STEEL CHEMICAL CO (JP) 2005-07-20 CN claimed
CN-1198830-C Removal of dissolved silicate from solvent of alcohol-silicon direct synthesis method CROMPTON CORP (US) 2005-04-27 CN claimed
CN-1140530-C Method for removing dissolved silicate from solvent directly synthesized from alcohol-silicon CK韦特科公司 2004-03-03 CN claimed
CN-1479707-A Process for preparing tetrahydrofuran �����ɷ� 2004-03-03 CN claimed
CN-1368974-A Removal of dissolved silicates from alcohol-silicon direct synthesis solvents CROMPTON CORP (US) 2002-09-11 CN claimed
US-6419851-B1 AROMATIC POLYESTERS COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2002-07-16 US claimed
US-6409937-B1 4-HYDROXYPHENYLACETIC ACID, 3-(4-HYDROXYPHENYL)PROPIONIC ACID, TEREPHTHALIC ACID, HYDROQUINONE, 2,6-NAPHTHALENE DIOL, 4,4'-BIPHENOL; ACETYLATION, HYDROLYSIS AT REDUCED PRESSURE FOR EFFICIENT ACETIC ACID REMOVAL AND HIGHER MOLECULAR WEIGHT COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2002-06-25 US claimed
EP-0708077-B1 Diamino compounds and methods for preparing them CHISSO CORP (JP) 2000-12-27 EP claimed
CN-1243127-A Method for removing dissolved silicate from solvent directly synthesized from alcohol-silicon WITCO CORP (US) 2000-02-02 CN claimed
US-5883291-A Heat exchange media for the thermal cracking of carbamic acid esters BAYER AKTIENGESELLSCHAFT (DE) 1999-03-16 US claimed
US-5663440-A Diamino compounds and methods for preparing them CHISSO CORPORATION (JP) 1997-09-02 US claimed
EP-0570599-B1 METALLIZED PLASTIC FILM CAPACITOR NIPPON PETROCHEMICALS CO LTD (JP) 1997-08-20 EP claimed
EP-0777241-A2 Metallized plastic film capacitor NIPPON PETROCHEMICALS COMPANY, LTD. (JP) 1997-06-04 EP claimed
EP-0708077-A1 Diamino compounds and methods for preparing them CHISSO CORPORATION (JP) 1996-04-24 EP claimed
US-5011634-A Microcapsules and microcapsule production process PAPIERFABRIK AUGUST KOEHLER AG (DE) 1991-04-30 US claimed
CN-1041933-A CHEMICAL CONVERSION PROCESS UNION CARBIDE CORP (US) 1990-05-09 CN claimed