Benzene

Benzene

SCHEMBL28022550

C=CC(=O)OCS(=O)(=O)O.c1ccccc1

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.44
TSHR P16473 7/20 0.43
ALDH1A1 P00352 4/20 0.43
TP53 P04637 3/20 0.43
HIF1A Q16665 3/20 0.43
CYP3A4 P08684 2/20 0.43
HSD17B10 Q99714 1/20 0.43
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HPGD P15428 1/20 0.39
LMNA P02545 1/20 0.31
TGM2 P21980 1/20 0.30
AKT1 P31749 1/20 0.30

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
SCHEMBL483800 0.94 TSHR (0.48) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL9639461 0.91 TSHR (0.46) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL27821844 0.91 TSHR (0.46) THRBTSHRALDH1A1TP53HIF1A
Methane SCHEMBL8401172 0.91 TSHR (0.46) THRBTSHRALDH1A1TP53HIF1A
Biphenyl SCHEMBL27622834 0.89 THRB (0.49) THRBTSHRALDH1A1TP53HIF1A
Ethylene Glycol SCHEMBL27952389 0.88 TSHR (0.54) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL6916022 0.82 TSHR (0.48) THRBTSHRALDH1A1TP53HIF1A
Thioglycolic Acid SCHEMBL27952397 0.82 TSHR (0.44) THRBTSHRALDH1A1TP53HIF1A
Di(Hydroxyethyl)Ether SCHEMBL27940526 0.81 TSHR (0.57) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL27952414 0.76 TSHR (0.67) THRBTSHRALDH1A1TP53HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104736603-A Polymerizable composition, and cured article MITSUBISHI GAS CHEMICAL CO 2015-06-24 CN disclosed