Benzene

Benzene

SCHEMBL6818055

CCCCCCCCC(NS(C)(=O)=O)C(=O)O.c1ccccc1

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 3/20 0.46
MMP2 P08253 4/20 0.46
MMP9 P14780 4/20 0.46
MMP8 P22894 3/20 0.46
MMP12 P39900 3/20 0.46
MMP14 P50281 3/20 0.46
GPR84 Q9NQS5 3/20 0.46
FFAR1 O14842 1/20 0.46
MAPT P10636 1/20 0.44
LCK P06239 1/20 0.44
PPARD Q03181 1/20 0.44
ZDHHC20 Q5W0Z9 1/20 0.44
ZDHHC2 Q9UIJ5 1/20 0.44
ACE2 Q9BYF1 1/20 0.42
CA2 P00918 1/20 0.42
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
SLC6A5 Q9Y345 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.41
TLR2 O60603 1/20 0.40

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
SCHEMBL24884876 0.97 NOD1 (0.49) NOD1MMP2MMP9MMP8MMP12
Hydrochloric Acid SCHEMBL15799637 0.95 NOD1 (0.47) NOD1MMP2MMP9MMP8MMP12
SCHEMBL24885095 0.95 NOD1 (0.46) NOD1MMP2MMP9MMP8MMP12
Benzene SCHEMBL4058883 0.86 MMP9 (0.42) MMP2MMP9MMP8MMP12MMP14
SCHEMBL7416802 0.82 HDAC1 (0.43) NOD1MMP2MMP9MMP8MMP12
SCHEMBL7416795 0.82 HDAC1 (0.43) NOD1MMP2MMP9MMP8MMP12
Hydrochloric Acid SCHEMBL32662559 0.80 HDAC1 (0.41) NOD1MMP2MMP9MMP8MMP12
SCHEMBL31522342 0.80 ITGB3 (0.51) NOD1GPR84FFAR1MAPTLCK
SCHEMBL6818957 0.80 ITGB3 (0.51) NOD1GPR84FFAR1MAPTLCK
SCHEMBL8012073 0.79 MMP2 (0.55) MMP2MMP9CA2ITGB3ITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004020402-A1 SULPHONYLAMINO DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE DE NOVO PHARMACEUTICALS LIMITED (GB) 2004-03-11 WO claimed
WO-2004020402-A1 SULPHONYLAMINO DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE DE NOVO PHARMACEUTICALS LIMITED (GB) 2004-03-11 WO disclosed