Benzene

Benzene

SCHEMBL8740449

Cc1ccc(O)c(C)c1.c1ccccc1

nearest known ligand 0.90

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.90
TDP1 Q9NUW8 1/20 0.90
TRPA1 O75762 1/20 0.59
ALOX15 P16050 3/20 0.52
HSD17B10 Q99714 3/20 0.52
ALDH1A1 P00352 2/20 0.52
PDE10A Q9Y233 1/20 0.52
CSNK2A1 P68400 1/20 0.52
ESR1 P03372 4/20 0.52
ESR2 Q92731 4/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
MAPT P10636 2/20 0.50
HPGD P15428 2/20 0.50
ALOX12 P18054 2/20 0.50
MEN1 O00255 1/20 0.50
LMNA P02545 1/20 0.50
GAA P10253 1/20 0.50
KMT2A Q03164 1/20 0.50
FTO Q9C0B1 1/20 0.48

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
SCHEMBL29387276 0.95
SCHEMBL92167 0.95
SCHEMBL8872751 0.95 TP53 (1.00) TP53TDP1TRPA1ALOX15HSD17B10
Toluene SCHEMBL27863705 0.93 TP53 (0.77) TP53TDP1TRPA1ALOX15HSD17B10
Hydrochloric Acid SCHEMBL11235186 0.92 TP53 (0.94) TP53TDP1TRPA1ALOX15HSD17B10
Hydrochloric Acid SCHEMBL7074386 0.92 TP53 (0.94) TP53TDP1TRPA1ALOX15HSD17B10
SCHEMBL27887419 0.92 TP53 (0.94) TP53TDP1TRPA1ALOX15HSD17B10
SCHEMBL30401856 0.92 TP53 (0.94) TP53TDP1TRPA1ALOX15HSD17B10
Phenol SCHEMBL5165473 0.91 TDP1 (0.74) TP53TDP1TRPA1ALOX15HSD17B10
O-Xylene SCHEMBL18917502 0.90 TP53 (0.81) TP53TDP1TRPA1ALOX15HSD17B10

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0705221-A4 METHOD AND APPARATUS FOR PHOTOCHEMICALLY OXIDIZING GASEOUS ORGANIC COMPOUNDS PROCESS TECHNOLOGIES INC (US) 1997-01-22 EP disclosed
EP-0705221-A1 METHOD AND APPARATUS FOR PHOTOCHEMICALLY OXIDIZING GASEOUS ORGANIC COMPOUNDS PROCESS TECHNOLOGIES, INCORPORATED (US) 1996-04-10 EP disclosed
WO-1994029221-A1 METHOD AND APPARATUS FOR PHOTOCHEMICALLY OXIDIZING GASEOUS ORGANIC COMPOUNDS PROCESS TECHNOLOGIES, INC. (US) 1994-12-22 WO disclosed