Benzene

Benzene

SCHEMBL9215722

C1CCC(OC2CCCCO2)OC1.CO.CO.c1ccccc1

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SLC6A3 Q01959 4/20 0.37
KDM4C Q9H3R0 1/20 0.34
OSBP P22059 1/20 0.33
OSBP2 Q969R2 1/20 0.33
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
CCNA2 P20248 1/20 0.30
CDK2 P24941 1/20 0.30
CCNA1 P78396 1/20 0.30
CDK5 Q00535 1/20 0.30
CDK5R1 Q15078 1/20 0.30

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
SCHEMBL28813769 0.86 MEN1 (0.33) MEN1KMT2AKDM4C
SCHEMBL30805 0.86 MEN1 (0.33) MEN1KMT2AKDM4C
SCHEMBL11263233 0.86 MEN1 (0.33) MEN1KMT2AKDM4C
Benzene SCHEMBL9215717 0.85 SLC6A3 (0.40) MEN1KMT2ASLC6A3KDM4CNPC1
SCHEMBL4260336 0.84 MEN1 (0.33) MEN1KMT2AKDM4C
SCHEMBL10644184 0.84 MEN1 (0.33) MEN1KMT2AKDM4C
SCHEMBL8910390 0.79 MEN1 (0.31) MEN1KMT2AOSBPOSBP2
Hydroquinone SCHEMBL9403963 0.79 ALDH1A1 (0.40) MEN1KMT2ASLC6A3KDM4C
Lactic Acid SCHEMBL10452472 0.79 TP53 (0.39) MEN1KMT2ASLC6A3
Bromobenzene SCHEMBL27804570 0.79 ALDH1A1 (0.39) MEN1KMT2ASLC6A3KDM4C

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
EP-0384110-B1 Gamma radiation resistant polycarbonate composition BAYER AG (US) 1995-12-06 EP disclosed