Benzene

Benzene

SCHEMBL21546030

Oc1cccc2ccc3cc4ccccc4cc3c12.P.c1ccccc1

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
MEN1 O00255 1/20 0.50
DNMT1 P26358 1/20 0.50
CACNA1B Q00975 1/20 0.50
APBA1 Q02410 1/20 0.50
KMT2A Q03164 1/20 0.50
MCL1 Q07820 1/20 0.50
APOBEC3G Q9HC16 1/20 0.50
CYP1A2 P05177 3/20 0.46
ERBB2 P04626 1/20 0.46
FYN P06241 1/20 0.46
MAOA P21397 1/20 0.46
ACHE P22303 1/20 0.46
AHR P35869 1/20 0.46
CYP19A1 P11511 1/20 0.43
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
IDO1 P14902 1/20 0.41
TDO2 P48775 1/20 0.41
CDK4 P11802 1/20 0.41

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
Phosphine SCHEMBL1065290 0.98 ALDH1A1 (0.52) ALDH1A1MEN1DNMT1CACNA1BAPBA1
SCHEMBL1321553 0.96 ALDH1A1 (0.54) ALDH1A1MEN1DNMT1CACNA1BAPBA1
SCHEMBL30345820 0.96 ALDH1A1 (0.54) ALDH1A1MEN1DNMT1CACNA1BAPBA1
Methane SCHEMBL11127881 0.94 ALDH1A1 (0.52) ALDH1A1MEN1DNMT1CACNA1BAPBA1
Ammonia Solution, Strong SCHEMBL940145 0.94 ALDH1A1 (0.52) ALDH1A1MEN1DNMT1CACNA1BAPBA1
SCHEMBL8463959 0.94 ALDH1A1 (0.52) ALDH1A1MEN1DNMT1CACNA1BAPBA1
Ethane SCHEMBL439760 0.92 ALDH1A1 (0.50) ALDH1A1MEN1DNMT1CACNA1BAPBA1
Pentane SCHEMBL9329065 0.84 ALDH1A1 (0.43) ALDH1A1MEN1DNMT1CACNA1BAPBA1
SCHEMBL27558011 0.79 CYP1A2 (0.56) ALDH1A1MEN1DNMT1CACNA1BAPBA1
SCHEMBL30921731 0.79 CYP1A2 (0.61) ALDH1A1MEN1DNMT1CACNA1BAPBA1

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-20190345335-A1 Preparation method of polyorganosiloxane-polycarbonate and its application Guangdong Great Material Co., Ltd. (CN) 2019-11-14 US claimed
US-20190345335-A1 Preparation method of polyorganosiloxane-polycarbonate and its application Guangdong Great Material Co., Ltd. (CN) 2019-11-14 US disclosed