Benzene

Benzene

SCHEMBL7205309

C=CCc1cccc(S)c1S.c1ccccc1

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.47
GABRB2 P47870 2/20 0.47
AKR1B1 P15121 1/20 0.37
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
ADRA2C P18825 2/20 0.34
ADRA2A P08913 1/20 0.34
ADRA2B P18089 1/20 0.34
ALDH1A1 P00352 2/20 0.33
LMNA P02545 2/20 0.33
GAA P10253 1/20 0.33
AURKA O14965 1/20 0.33
DAPK3 O43293 1/20 0.33
MAP4K4 O95819 1/20 0.33
RET P07949 1/20 0.33
IGF1R P08069 1/20 0.33
MET P08581 1/20 0.33

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
SCHEMBL7200585 0.89 GABRA1 (0.42) GABRA1GABRB2AKR1B1MEN1KMT2A
SCHEMBL5010980 0.87 GABRA1 (0.54) GABRA1GABRB2AKR1B1MEN1KMT2A
SCHEMBL170049 0.80 GABRA1 (0.47) GABRA1GABRB2AKR1B1ADRA2CADRA2A
SCHEMBL31201870 0.80 GABRA1 (0.47) GABRA1GABRB2AKR1B1ADRA2CADRA2A
SCHEMBL2469944 0.79 GABRA1 (0.47) GABRA1GABRB2AKR1B1MEN1KMT2A
SCHEMBL28973499 0.78 GABRA1 (0.45) GABRA1GABRB2AKR1B1ADRA2CADRA2A
SCHEMBL28194954 0.78 GABRA1 (0.45) GABRA1GABRB2AKR1B1ADRA2CADRA2A
SCHEMBL9269358 0.78 GABRA1 (0.55) GABRA1GABRB2AKR1B1MEN1KMT2A
SCHEMBL27313389 0.78 GABRA1 (0.46) GABRA1GABRB2AKR1B1MEN1KMT2A
SCHEMBL5832429 0.76 FOLH1 (0.47) GABRA1GABRB2MEN1KMT2AMAPT

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
US-6586376-B1 Sterically hindered polyol ester and polyphenyl thioether, oxidation resistance; jet turbine engines EXXONMOBIL RESEARCH AND ENGINEERING COMPANY 2003-07-01 US disclosed
US-6191080-B1 MIXTURE OF POLYOL ESTERS, MIXTURE OF POLYPHENYLENE ETHER AND POLYOL ESTER AND POLYPHENYLENE THIOETHERS TONEN CORPORATION (JP) 2001-02-20 US disclosed