Sugi Predict

Sugi Predict / Compounds / Benzene

Benzene

Benzene

SCHEMBL28219901

O=CO.[Mn].c1ccccc1

nearest known ligand 0.36

Full drug profile on Sugi Atlas →

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ CYP2A6 P11509 1/20 0.33
▸ TP53 P04637 1/20 0.30
▸ TSHR P16473 1/20 0.30

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
Benzene SCHEMBL27723606 0.95 ALDH1A1 (0.35) ALDH1A1MAPK1TDP1CYP2A6TP53
Benzene SCHEMBL27466978 0.95 ALDH1A1 (0.35) ALDH1A1MAPK1TDP1CYP2A6TP53
Benzene SCHEMBL2295857 0.95 — —
Benzene SCHEMBL30314930 0.95 ALDH1A1 (0.35) ALDH1A1MAPK1TDP1CYP2A6TP53
Benzene SCHEMBL28843807 0.90 ALDH1A1 (0.33) ALDH1A1MAPK1TDP1CYP2A6TP53
Benzene SCHEMBL28113048 0.90 ALDH1A1 (0.36) ALDH1A1MAPK1TDP1CYP2A6TP53
Benzene SCHEMBL10970429 0.90 ALDH1A1 (0.33) ALDH1A1MAPK1TDP1CYP2A6TP53
Benzene SCHEMBL29287815 0.90 ALDH1A1 (0.33) ALDH1A1MAPK1TDP1CYP2A6TP53
Benzene SCHEMBL28784982 0.90 ALDH1A1 (0.33) ALDH1A1MAPK1TDP1CYP2A6TP53
Benzene SCHEMBL28085393 0.90 ALDH1A1 (0.33) ALDH1A1MAPK1TDP1CYP2A6TP53

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-107995906-A Increase the method for the opacity of winnofil OMYA国际股份公司 2018-05-04 — — CN disclosed