Benzene

Benzene

SCHEMBL21834592

Oc1ccc(O)c(O)c1.c1ccccc1

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 5/20 0.56
CA12 O43570 3/20 0.50
CA2 P00918 3/20 0.50
CA9 Q16790 3/20 0.50
CA14 Q9ULX7 3/20 0.50
CA1 P00915 2/20 0.50
CA7 P43166 2/20 0.50
APP P05067 2/20 0.50
ALDH1A1 P00352 2/20 0.50
PTGS2 P35354 1/20 0.50
TSHR P16473 1/20 0.50
LCK P06239 2/20 0.48
NQO2 P16083 1/20 0.48
TYR P14679 1/20 0.48
LMNA P02545 1/20 0.47
CYP3A4 P08684 1/20 0.47
CA5A P35218 1/20 0.47
HSD17B10 Q99714 1/20 0.47
CA5B Q9Y2D0 1/20 0.47
MEN1 O00255 1/20 0.46

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
SCHEMBL4862349 0.94 ALOX5 (0.60) ALOX5CA12CA2CA9CA14
SCHEMBL29829218 0.94
SCHEMBL33527 0.94
Phenol SCHEMBL4387959 0.92 CA12 (0.58) ALOX5CA12CA2CA9CA14
Catechol SCHEMBL822172 0.91 CA12 (0.59) ALOX5CA12CA2CA9CA14
Phosphine SCHEMBL11514630 0.90 ALOX5 (0.57) ALOX5CA12CA2CA9CA14
SCHEMBL6676690 0.90 ALOX5 (0.57) ALOX5CA12CA2CA9CA14
Hydrogen Sulfide SCHEMBL11691776 0.90 ALOX5 (0.57) ALOX5CA12CA2CA9CA14
SCHEMBL31122728 0.90 ALOX5 (0.57) ALOX5CA12CA2CA9CA14
Phloroglucinol SCHEMBL8997011 0.88 ALOX5 (0.55) ALOX5CA12CA2CA9CA14

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
WO-2020066175-A1 VINYL ESTER RESIN COMPOSITION, COMPOSITE MATERIAL CONTAINING SAID COMPOSITION, AND CURED PRODUCT OF SAID COMPOSITION OR COMPOSITE MATERIAL 昭和電工株式会社 2020-04-02 WO disclosed