Chlorobenzene

Chlorobenzene

SCHEMBL7064663

CCOC(=O)CCCO.Clc1ccccc1

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.54
CYP4A11 Q02928 3/20 0.54
ALDH1A1 P00352 1/20 0.52
ALOX5 P09917 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
TOP2A P11388 1/20 0.47
LTA4H P09960 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2D6 P10635 2/20 0.45
CYP2C19 P33261 2/20 0.45
NAMPT P43490 1/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2C9 P11712 1/20 0.45
EGFR P00533 1/20 0.44
CXCR3 P49682 1/20 0.43
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 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
Toluene SCHEMBL1233802 0.87 CYP4F2 (0.56) CYP4F2CYP4A11ALDH1A1ALOX5SMN1; SMN2
Benzene SCHEMBL10488289 0.86 CYP1A2 (0.57) CYP4F2CYP4A11ALDH1A1ALOX5SMN1; SMN2
Chlorobenzene SCHEMBL27389658 0.83 CYP4F2 (0.47) CYP4F2CYP4A11ALDH1A1SMN1; SMN2MEN1
Ethyl Propionate SCHEMBL27547003 0.81 MEN1 (0.49) CYP4F2CYP4A11ALDH1A1SMN1; SMN2CYP3A4
Toluene SCHEMBL10779605 0.81 CYP4F2 (0.57) CYP4F2CYP4A11ALDH1A1ALOX5SMN1; SMN2
SCHEMBL6736 0.80
Acetic Acid SCHEMBL5722467 0.79 CYP1A2 (0.57) CYP4F2CYP4A11ALDH1A1CYP3A4CYP1A2
Acetic Acid SCHEMBL988009 0.79 CYP1A2 (0.57) CYP4F2CYP4A11ALDH1A1CYP3A4CYP1A2
Acetic Acid SCHEMBL988260 0.79 CYP1A2 (0.57) CYP4F2CYP4A11ALDH1A1CYP3A4CYP1A2
Acetic Acid SCHEMBL15993372 0.79 CYP1A2 (0.57) CYP4F2CYP4A11ALDH1A1CYP3A4CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1140664-C Fabric care method ϣ�����⻯ѧ�عɹ�˾ 2004-03-03 CN disclosed
US-20030203828-A1 Fabric care method BACHMANN FRANK (DE) 2003-10-30 US disclosed
US-6562775-B2 Using peroxy cmpound detergents CIBA SPECIALTY CHEMICALS CORPORATION 2003-05-13 US disclosed
US-6486110-B2 MANGANESE COMPLEXES OF HYDROXYBENZENES OR HYDROXY-BENZO(IJ)QUINOLIZINES CONNECTED BY A DIIMINE BRIDGE IN 1,2-CONFIGURATION WITH THE HYDROXYL GROUP; PREVENTING DYE TRANSFER DURING LAUNDERING CIBA SPECIALTY CHEMICALS CORPORATION 2002-11-26 US disclosed
US-20020119899-A1 Fabric care method BACHMANN FRANK (DE) 2002-08-29 US disclosed
US-20010053755-A1 Manganese complexes of hydroxybenzenes or hydroxy-benzo(ij)quinolizines connected by a diimine bridge in 1,2-configuration with the hydroxyl group; preventing dye transfer during laundering BACHMANN FRANK (DE) 2001-12-20 US disclosed
EP-0902083-A1 Fabric care method Ciba SC Holding AG (CH) 1999-03-17 EP disclosed
CN-1210919-A Fabric care method CIBA SC HOLDING AG (CH) 1999-03-17 CN disclosed