Benzene

Benzene

SCHEMBL10488289

CCOC(=O)CCCO.c1ccccc1

nearest known ligand 0.57

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.57
CYP4F2 P78329 3/20 0.53
CYP4A11 Q02928 3/20 0.53
NR1I2 O75469 1/20 0.50
PGR P06401 1/20 0.50
ADORA3 P0DMS8 1/20 0.50
PTGS2 P35354 1/20 0.50
PDE4D Q08499 1/20 0.50
ALDH1A1 P00352 4/20 0.47
CYP3A4 P08684 3/20 0.47
ALOX15 P16050 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
TSHR P16473 1/20 0.47
HSD17B10 Q99714 1/20 0.47
ALOX5 P09917 1/20 0.46
MGAM O43451 1/20 0.46
GAA P10253 1/20 0.46
SI P14410 1/20 0.46
MGAM2 Q2M2H8 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46

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
SCHEMBL6736 0.93
Acetic Acid SCHEMBL988260 0.91 CYP1A2 (0.57) CYP1A2CYP4F2CYP4A11NR1I2PGR
Acetic Acid SCHEMBL988009 0.91 CYP1A2 (0.57) CYP1A2CYP4F2CYP4A11NR1I2PGR
Acetic Acid SCHEMBL6760313 0.91 CYP1A2 (0.57) CYP1A2CYP4F2CYP4A11NR1I2PGR
Acetic Acid SCHEMBL989387 0.91 CYP1A2 (0.57) CYP1A2CYP4F2CYP4A11NR1I2PGR
Acetic Acid SCHEMBL5722467 0.91 CYP1A2 (0.57) CYP1A2CYP4F2CYP4A11NR1I2PGR
Acetic Acid SCHEMBL1816394 0.91 CYP1A2 (0.57) CYP1A2CYP4F2CYP4A11NR1I2PGR
Acetic Acid SCHEMBL1149338 0.91 CYP1A2 (0.57) CYP1A2CYP4F2CYP4A11NR1I2PGR
Acetic Acid SCHEMBL15993372 0.91 CYP1A2 (0.57) CYP1A2CYP4F2CYP4A11NR1I2PGR
Acetic Acid SCHEMBL4859810 0.91 CYP1A2 (0.57) CYP1A2CYP4F2CYP4A11NR1I2PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4855126-A 2-ACETAMIDO-2-DEOXY-3-O-(D-GALACTOPYRANOSY)-D-GALACTO -PYRANOSIDE/ CHEMBIOMED LTD. (CA) 1989-08-08 US disclosed
US-4794176-A HAPTEN DISACCHARIDE FOR CANCER DIAGNOSIS CHEMBIOMED (CA) 1988-12-27 US disclosed
US-4767845-A DIAGNOSTIC FOR HUMAN CANCER; GLYCOSIDES BY REDUCTION, ACETYLATION, DEACETYLATION CHEMBIOMED, LTD. (CA) 1988-08-30 US disclosed
US-4620013-A Chiral phosphines HOFFMANN-LA ROCHE INC. (US) 1986-10-28 US disclosed
US-4539411-A Rhodium complexes of chiral phosphines HOFFMANN-LA ROCHE INC. (US) 1985-09-03 US disclosed
EP-0093443-A1 Alkyl ester imines of halomethyl benzoic acids and processes for their preparation HOECHST AKTIENGESELLSCHAFT (DE) 1983-11-09 EP disclosed
US-4362720-A Synthesis of 2-amino-2-deoxyglycoses and 2-amino-2-deoxyglycosides from glycals CHEMBIOMED LTD. (CA) 1982-12-07 US disclosed
EP-0044188-A2 Synthesis of tumor antigenic determinant CHEMBIOMED LTD. (CA) 1982-01-20 EP disclosed
US-4308376-A Synthesis of 2-amino-2-deoxyglycoses and 2-amino-2-deoxyglycosides from glycals CHEMBIOMED LTD. (CA) 1981-12-29 US disclosed
US-4217445-A SKIN DISORDERS FOTOBIO HOLDING AG (CH) 1980-08-12 US disclosed
US-4195174-A Synthesis of 2-amino-2-deoxyglycoses and 2-amino-2-deoxyglycosides from glycals CHEMBIOMED LTD. (CA) 1980-03-25 US disclosed