Benzene

Benzene

SCHEMBL11037142

O=C1OCCO1.c1ccccc1

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 1/20 0.40
ICAM1 P05362 1/20 0.40
ITGAL P20701 1/20 0.40
LMNA P02545 4/20 0.39
ALDH1A1 P00352 3/20 0.39
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39
CA1 P00915 3/20 0.35
CA9 Q16790 3/20 0.35
CRHBP P24387 2/20 0.35
CRHR2 Q13324 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HTT P42858 2/20 0.35
KMT2A Q03164 1/20 0.33
HSP90AA1 P07900 1/20 0.31
HSP90AB1 P08238 1/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
KDM4E B2RXH2 1/20 0.31

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
Fluoride SCHEMBL28037087 0.89
SCHEMBL2011229 0.89
SCHEMBL1332336 0.89
SCHEMBL13629 0.89
SCHEMBL326193 0.89 ALDH1A1 (0.47) ITGB2ICAM1ITGALLMNAALDH1A1
SCHEMBL1332032 0.89
Fluoride SCHEMBL5345765 0.89
Fluoride SCHEMBL28382077 0.89
SCHEMBL20546841 0.89 ALDH1A1 (0.47) ITGB2ICAM1ITGALLMNAALDH1A1
Biphenyl SCHEMBL28053336 0.86 ALDH1A1 (0.47) ITGB2ICAM1ITGALLMNAALDH1A1

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
CN-109937187-A Cerium oxide composite particles dispersion liquid, its manufacturing method and the grinding abrasive grain dispersion liquid comprising cerium oxide composite particles dispersion liquid 日挥触媒化成株式会社 2019-06-25 CN disclosed
CN-107428544-A Silica-based composite particles dispersion liquid, its manufacture method and the polishing slurry for including silica-based composite particles dispersion liquid 日挥触媒化成株式会社 2017-12-01 CN disclosed
EP-0149133-A2 Polyacetylene composite, process for production thereof, and method for use thereof Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1985-07-24 EP disclosed