Benzene

Benzene

SCHEMBL433625

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

nearest known ligand 0.59

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.59
ALDH1A1 P00352 7/20 0.59
TP53 P04637 3/20 0.59
HIF1A Q16665 3/20 0.59
HSD17B10 Q99714 1/20 0.59
THRB P10828 3/20 0.58
CYP3A4 P08684 2/20 0.54
HPGD P15428 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.39
MAPK1 P28482 1/20 0.39
CHRM5 P08912 2/20 0.39
CHRM1 P11229 2/20 0.39
CHRM3 P20309 2/20 0.39
PGR P06401 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
HTR1A P08908 1/20 0.39
CHRNB2 P17787 1/20 0.39
TBXA2R P21731 1/20 0.39
CHRNB4 P30926 1/20 0.39

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
SCHEMBL553608 0.94 TSHR (0.67) TSHRALDH1A1TP53HIF1AHSD17B10
Propene SCHEMBL11682106 0.89 TSHR (0.61) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL9421576 0.88 TSHR (0.79) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL10390000 0.88 TSHR (0.79) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL9421562 0.88 TSHR (0.79) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL2612001 0.88 TSHR (0.79) TSHRALDH1A1TP53HIF1AHSD17B10
Acetic Acid SCHEMBL3361156 0.87 TSHR (0.70) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL2612184 0.85 TSHR (0.75) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL6272644 0.85 TSHR (0.68) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL12112432 0.83 TSHR (0.79) TSHRALDH1A1TP53HIF1AHSD17B10

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
WO-2012010918-A2 OPTICAL DEVICES MEDICONTUR ORVOSTECHNIKAI KFT. (HU) 2012-01-26 WO disclosed