Benzene

Benzene

SCHEMBL31091106

c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.c1ccccc1

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
MAPK1 P28482 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
TSHR P16473 4/20 0.35
TDP1 Q9NUW8 3/20 0.35
LMNA P02545 3/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
ALOX12 P18054 2/20 0.35
CA12 O43570 1/20 0.35
GLA P06280 1/20 0.35
CA3 P07451 1/20 0.35
CA4 P22748 1/20 0.35
CA14 Q9ULX7 1/20 0.35
ACHE P22303 1/20 0.35
CA7 P43166 1/20 0.35
MAPT P10636 3/20 0.35
HSD17B10 Q99714 2/20 0.35

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
SCHEMBL143876 1.00 ALDH1A1 (0.50) ALDH1A1MAPK1NPC1RAB9ATSHR
SCHEMBL11707018 1.00 ALDH1A1 (0.50) ALDH1A1MAPK1NPC1RAB9ATSHR
SCHEMBL15152903 0.96 ALDH1A1 (0.47) ALDH1A1MAPK1NPC1RAB9ATSHR
Ammonia Solution, Strong SCHEMBL234555 0.96 ALDH1A1 (0.47) ALDH1A1MAPK1NPC1RAB9ATSHR
SCHEMBL135430 0.96 ALDH1A1 (0.47) ALDH1A1MAPK1NPC1RAB9ATSHR
Phosphine SCHEMBL9242100 0.96 ALDH1A1 (0.47) ALDH1A1MAPK1NPC1RAB9ATSHR
SCHEMBL404594 0.96 ALDH1A1 (0.47) ALDH1A1MAPK1NPC1RAB9ATSHR
SCHEMBL1132217 0.96 ALDH1A1 (0.47) ALDH1A1MAPK1NPC1RAB9ATSHR
Ammonia Solution, Strong SCHEMBL8002765 0.96 ALDH1A1 (0.47) ALDH1A1MAPK1NPC1RAB9ATSHR
Silver SCHEMBL333097 0.96 ALDH1A1 (0.47) ALDH1A1MAPK1NPC1RAB9ATSHR

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-115315453-B Propylene copolymers obtained using transition metal bis (phenoxide) catalyst complexes and homogeneous process for producing the same 埃克森美孚化学专利公司 2024-08-30 CN disclosed