Benzene

Benzene

SCHEMBL28297820

O=P(O)(Oc1ccccc1)c1ccccc1.c1ccccc1

nearest known ligand 0.66

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.66
CA4 P22748 3/20 0.66
CA5A P35218 3/20 0.66
CA12 O43570 2/20 0.66
CA1 P00915 2/20 0.66
CA7 P43166 2/20 0.66
CA9 Q16790 2/20 0.66
CA5B Q9Y2D0 2/20 0.66
SRC P12931 1/20 0.64
L3MBTL1 Q9Y468 2/20 0.61
TDP1 Q9NUW8 1/20 0.61
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
CFTR P13569 1/20 0.46
KDM4E B2RXH2 1/20 0.45
ANPEP P15144 2/20 0.44
LAP3 P28838 2/20 0.44
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
MEN1 O00255 1/20 0.43

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
SCHEMBL752987 1.00 CA2 (0.66) CA2CA4CA5ACA12CA1
SCHEMBL672612 0.98 CA2 (0.64) CA2CA4CA5ACA12CA1
SCHEMBL29021952 0.98 CA2 (0.64) CA2CA4CA5ACA12CA1
SCHEMBL28773138 0.98 CA2 (0.64) CA2CA4CA5ACA12CA1
SCHEMBL3963455 0.98 CA2 (0.64) CA2CA4CA5ACA12CA1
SCHEMBL9584229 0.98 CA2 (0.64) CA2CA4CA5ACA12CA1
Hydrochloric Acid SCHEMBL5100853 0.98 CA2 (0.64) CA2CA4CA5ACA12CA1
SCHEMBL28825799 0.98 CA2 (0.64) CA2CA4CA5ACA12CA1
SCHEMBL639056 0.98 CA2 (0.64) CA2CA4CA5ACA12CA1
SCHEMBL673830 0.98 CA2 (0.64) CA2CA4CA5ACA12CA1

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-109715723-A Polyolefin resin composite and the formed products for using it 株式会社ADEKA 2019-05-03 CN disclosed