Benzene

Benzene

SCHEMBL28068173

CCP(=O)(O)CC.c1ccccc1

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 2/20 0.46
GABBR1 Q9UBS5 2/20 0.46
KDM4E B2RXH2 1/20 0.39
MMP2 P08253 1/20 0.39
THRB P10828 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TSHR P16473 3/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
PKM P14618 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
CETP P11597 1/20 0.36
CFTR P13569 1/20 0.36
CA2 P00918 2/20 0.35
CA4 P22748 1/20 0.35
CA5A P35218 1/20 0.35

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
SCHEMBL191734 0.89
Ammonia Solution, Strong SCHEMBL2354177 0.86
SCHEMBL19809602 0.86 GABBR2 (0.50) GABBR2GABBR1KDM4EMMP2THRB
SCHEMBL5687858 0.86 GABBR2 (0.50) GABBR2GABBR1KDM4EMMP2THRB
SCHEMBL1317106 0.86
SCHEMBL191930 0.86
Ethane SCHEMBL2485400 0.86
SCHEMBL19809597 0.86 GABBR2 (0.50) GABBR2GABBR1KDM4EMMP2THRB
SCHEMBL190707 0.86
SCHEMBL20985748 0.86

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-104262619-B A kind of phosphor-containing flame-proof polyamide and preparation method thereof and application 浙江理工大学 2016-07-13 CN disclosed