Benzene

Benzene

SCHEMBL29067759

Oc1ccc2ccc(O)cc2c1.c1ccccc1

nearest known ligand 0.74

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.74
ESR2 Q92731 8/20 0.70
ESR1 P03372 7/20 0.70
CYP3A4 P08684 3/20 0.52
HSD17B10 Q99714 2/20 0.52
ALOX15 P16050 1/20 0.52
TSHR P16473 1/20 0.52
HIF1A Q16665 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
HSD17B1 P14061 2/20 0.52
HSD17B2 P37059 2/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2B6 P20813 1/20 0.52
CYP2C19 P33261 1/20 0.52
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
ABL1 P00519 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
SCHEMBL29711 0.94 CYP1A2 (0.72) CYP1A2ESR2ESR1CYP3A4HSD17B10
SCHEMBL29358095 0.94 CYP1A2 (0.72) CYP1A2ESR2ESR1CYP3A4HSD17B10
SCHEMBL17311956 0.94 CYP1A2 (0.72) CYP1A2ESR2ESR1CYP3A4HSD17B10
SCHEMBL3451975 0.90 CYP1A2 (0.78) CYP1A2ESR2ESR1CYP3A4HSD17B10
SCHEMBL10719214 0.90 CYP1A2 (0.68) CYP1A2ESR2ESR1CYP3A4HSD17B10
Potassium SCHEMBL10719229 0.90 CYP1A2 (0.68) CYP1A2ESR2ESR1CYP3A4HSD17B10
Betanaphthol SCHEMBL8651479 0.88 CYP1A2 (0.94) CYP1A2ESR2ESR1CYP3A4HSD17B10
Betanaphthol SCHEMBL11026449 0.88 CYP1A2 (0.94) CYP1A2ESR2ESR1CYP3A4HSD17B10
Naphthalene SCHEMBL28125131 0.86 CYP1A2 (0.80) CYP1A2ESR2ESR1CYP3A4HSD17B10
Anthracene SCHEMBL28283702 0.86 CYP1A2 (0.90) CYP1A2ESR2ESR1CYP3A4HSD17B10

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
CN-116554444-B Polymer for lithographic medium composition and lithographic medium composition 嘉庚创新实验室 2024-03-29 CN disclosed
CN-116554444-A Polymer for lithographic medium composition and lithographic medium composition 嘉庚创新实验室 2023-08-08 CN disclosed