Benzene

Benzene

SCHEMBL3767076

CC(C)(C)c1cccc(C(C)(C)C)c1O.c1ccccc1

nearest known ligand 0.94

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.94
GABRA1 P14867 1/20 0.70
GABRB2 P47870 1/20 0.70
ALDH1A1 P00352 4/20 0.56
TSHR P16473 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
ALOX12 P18054 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
CA1 P00915 2/20 0.52
SMN1; SMN2 Q16637 3/20 0.50
TYR P14679 2/20 0.50
POLB P06746 1/20 0.50
PTGS1 P23219 2/20 0.46
PTGS2 P35354 2/20 0.46
ALOX5 P09917 1/20 0.46
ALOX15 P16050 3/20 0.44
MAPT P10636 2/20 0.44
HPN P05981 1/20 0.44
SIRT5 Q9NXA8 1/20 0.44
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL38598 0.97 CA2 (1.00) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL28361779 0.94 CA2 (0.94) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL28578522 0.94 CA2 (0.94) CA2GABRA1GABRB2ALDH1A1TSHR
Methyl Alcohol SCHEMBL28909622 0.94 CA2 (0.94) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL29614734 0.94 CA2 (0.94) CA2GABRA1GABRB2ALDH1A1TSHR
Hydrochloric Acid SCHEMBL7076174 0.94 CA2 (0.94) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL29189109 0.94 CA2 (0.94) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL31622310 0.94 CA2 (0.94) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL22444875 0.94 CA2 (0.94) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL28924235 0.94 CA2 (0.94) CA2GABRA1GABRB2ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106854450-A Broken stone water permeability pavement solvent-free single-component polyurethane adhesive and preparation method thereof 山东诺威聚氨酯股份有限公司 2017-06-16 CN claimed
CN-113214776-A Preparation method of single-component polyurethane foam adhesive 阜阳幼儿师范高等专科学校 2021-08-06 CN disclosed
CN-112159584-A Composite anti-condensation polyurethane sealing element and preparation method thereof 安徽火峰电气有限公司 2021-01-01 CN disclosed
CN-106854450-A Broken stone water permeability pavement solvent-free single-component polyurethane adhesive and preparation method thereof 山东诺威聚氨酯股份有限公司 2017-06-16 CN disclosed
CN-104497955-B Polyurethane two-component material for synthetic court expansion joint and preparation method thereof 山东诺威聚氨酯股份有限公司 2016-08-17 CN disclosed
CN-101535539-B Antistatic core-sheath type ultrafine-denier false-twisted polyester yarn, process for production thereof, and antistatic water-repellent fabrics comprising the yarn TEIJIN FIBERS LTD 2011-06-15 CN disclosed
US-20100313990-A1 ANTISTATIC CORE-SHEATH TYPE POLYESTER ULTRAFINE FALSE-TWIST TEXTURED YARN AND METHOD FOR PRODUCING THE SAME, AND ANTISTATIC WATER-REPELLENT WOVEN FABRIC CONTAINING THE ANTISTATIC CORE-SHEATH TYPE POLYESTER ULTRAFINE FALSE-TWIST TEXTURED YARN TEIJIN FIBERS LIMITED (JP) 2010-12-16 US disclosed
CN-101434826-B Preparations of bicomponent PSU type liquid rubber-based sealant and PSU liquid rubber thereof HENAN YONGLI CHEMICAL CO LTD 2010-08-11 CN disclosed
CN-1654578-B Elastic attachment adhesive containing radial block copolymer NAT STARCH CHEM INVEST 2010-04-28 CN disclosed
CN-101535539-A Antistatic core-sheath type ultrafine-denier false-twisted polyester yarn, process for production thereof, and antistatic water-repellent fabrics comprising the yarn TEIJIN FIBERS LTD (JP) 2009-09-16 CN disclosed
CN-101434826-A Preparations of bicomponent PSU type liquid rubber-based sealant and PSU liquid rubber thereof HENAN YONGLI CHEMICAL CO LTD (CN) 2009-05-20 CN disclosed
CN-1654578-A Elastic attachment adhesive containing radial block copolymer NAT STARCH CHEM INVEST (US) 2005-08-17 CN disclosed