Benzene

Benzene

SCHEMBL27815751

CC(C)OC(=O)N=NC(=O)OC(C)C.c1ccccc1

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
PDCD1 Q15116 1/20 0.41
CD274 Q9NZQ7 1/20 0.41
CA12 O43570 4/20 0.40
CA1 P00915 4/20 0.40
CA2 P00918 4/20 0.40
CA7 P43166 4/20 0.40
CA9 Q16790 4/20 0.40
CA14 Q9ULX7 4/20 0.40
HCAR2 Q8TDS4 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.37
GAA P10253 1/20 0.37
HTT P42858 3/20 0.35
MAPT P10636 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
ADRA1A P35348 1/20 0.34
PDE4D Q08499 1/20 0.34

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
Hydrogen Peroxide SCHEMBL27935318 0.95 TSHR (0.48) TSHRPDCD1CD274CA12CA1
SCHEMBL19256 0.92 TSHR (0.50) TSHRPDCD1CD274CA12CA1
SCHEMBL27539518 0.92 TSHR (0.50) TSHRPDCD1CD274CA12CA1
SCHEMBL19257 0.92 TSHR (0.50) TSHRPDCD1CD274CA12CA1
SCHEMBL444245 0.92 TSHR (0.50) TSHRPDCD1CD274CA12CA1
Bicarbonate SCHEMBL2348361 0.90 TSHR (0.43) TSHRPDCD1CD274CA12CA1
SCHEMBL31071641 0.89 TSHR (0.48) TSHRPDCD1CD274CA12CA1
SCHEMBL29860029 0.89 TSHR (0.48) TSHRPDCD1CD274CA12CA1
SCHEMBL22690761 0.89 TSHR (0.48) TSHRPDCD1CD274CA12CA1
SCHEMBL28883041 0.89 TSHR (0.48) TSHRPDCD1CD274CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105295100-A Preparation method of surface modification and flame retardance enhancement dual-function nano hydroxyl zinc stannate flame retardant UNIV HENAN 2016-02-03 CN claimed
CN-105295100-A Preparation method of surface modification and flame retardance enhancement dual-function nano hydroxyl zinc stannate flame retardant UNIV HENAN 2016-02-03 CN disclosed
CN-101851425-A Temperature-sensitive macromolecular hydrogel and preparation method thereof UNIV GUANGDONG TECHNOLOGY 2010-10-06 CN disclosed