Sugi Predict

Sugi Predict / Compounds / Benzene

Benzene

Benzene

SCHEMBL28291882

C=CC=CC(C)=O.c1ccccc1

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ GLA P06280 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.35
▸ LMNA P02545 2/20 0.34
▸ MAPT P10636 1/20 0.34
▸ IAPP P10997 1/20 0.32
▸ AKT1 P31749 1/20 0.31
▸ TSHR P16473 1/20 0.30
▸ FFAR3 O14843 1/20 0.30
▸ LCK P06239 1/20 0.30
▸ FYN P06241 1/20 0.30
▸ ALOX15 P16050 1/20 0.30
▸ RECQL P46063 1/20 0.30
▸ HSD17B10 Q99714 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
SCHEMBL6359402 0.92 — —
SCHEMBL6359403 0.92 — —
SCHEMBL28995878 0.89 — —
SCHEMBL28995928 0.86 — —
Phenol SCHEMBL10495836 0.85 TDP1 (0.47) ALDH1A1TDP1GLAKDM4ELMNA
Phenol SCHEMBL10491528 0.85 TDP1 (0.47) ALDH1A1TDP1GLAKDM4ELMNA
Phenol SCHEMBL10491532 0.85 TDP1 (0.47) ALDH1A1TDP1GLAKDM4ELMNA
Phenol SCHEMBL10495834 0.85 TDP1 (0.47) ALDH1A1TDP1GLAKDM4ELMNA
Styrene SCHEMBL1336841 0.84 GLA (0.55) ALDH1A1TDP1GLAKDM4ELMNA
Styrene SCHEMBL8916839 0.84 GLA (0.55) ALDH1A1TDP1GLAKDM4ELMNA

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-104813236-B Liquid developer macromolecule dispersing agent, liquid developer and printed article 东洋油墨SC控股株式会社 2019-04-26 — — CN disclosed