Benzene

Benzene

SCHEMBL28860269

C=COc1ccccc1.c1ccccc1

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.45
TSHR P16473 2/20 0.45
ALDH1A1 P00352 2/20 0.41
CA4 P22748 1/20 0.41
KCNA3 P22001 1/20 0.38
THRB P10828 1/20 0.36
CA5A P35218 1/20 0.36
CA5B Q9Y2D0 1/20 0.36
TGM2 P21980 1/20 0.35
NR1H2 P55055 1/20 0.35
BAX Q07812 1/20 0.35
MAOA P21397 1/20 0.35
TAAR1 Q96RJ0 1/20 0.33
RECQL P46063 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
AKT1 P31749 1/20 0.33
SRC P12931 1/20 0.33
LMNA P02545 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
SCHEMBL35471 1.00
SCHEMBL28675765 0.97 LTA4H (0.43) LTA4HTSHRALDH1A1CA4KCNA3
Methane SCHEMBL272168 0.97 LTA4H (0.43) LTA4HTSHRALDH1A1CA4KCNA3
Water SCHEMBL27492848 0.97 LTA4H (0.43) LTA4HTSHRALDH1A1CA4KCNA3
Water SCHEMBL28321219 0.97 LTA4H (0.43) LTA4HTSHRALDH1A1CA4KCNA3
Butadiene SCHEMBL9484267 0.95 LTA4H (0.41) LTA4HTSHRALDH1A1CA4KCNA3
Vinyl Ether SCHEMBL1412708 0.92 TSHR (0.39) LTA4HTSHRALDH1A1CA4KCNA3
SCHEMBL9645772 0.92 LTA4H (0.39) LTA4HTSHRALDH1A1CA4KCNA3
Vinyl Chloride SCHEMBL9714994 0.92 LTA4H (0.39) LTA4HTSHRALDH1A1CA4KCNA3
SCHEMBL9809350 0.92 LTA4H (0.39) LTA4HTSHRALDH1A1CA4KCNA3

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-108017954-A Dispersant, dispersion, composition for ink and their preparation method 日信化学工业株式会社 2018-05-11 CN disclosed