Benzene

Benzene

SCHEMBL28245201

N#CC=CC=Cc1ccccc1.c1ccccc1

nearest known ligand 0.64

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.64
LMNA P02545 3/20 0.48
MAPK1 P28482 2/20 0.48
ALDH1A1 P00352 2/20 0.48
TRPA1 O75762 1/20 0.48
ALOX5 P09917 1/20 0.48
MCL1 Q07820 2/20 0.44
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
MAPT P10636 2/20 0.41
NPC1 O15118 2/20 0.41

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
SCHEMBL679380 1.00 MAOB (0.64) MAOBLMNAMAPK1ALDH1A1TRPA1
SCHEMBL17741 1.00 MAOB (0.64) MAOBLMNAMAPK1ALDH1A1TRPA1
SCHEMBL29566168 0.98 MAOB (0.61) MAOBLMNAMAPK1ALDH1A1TRPA1
Hydrochloric Acid SCHEMBL11079362 0.98 MAOB (0.61) MAOBLMNAMAPK1ALDH1A1TRPA1
SCHEMBL258994 0.98 MAOB (0.61) MAOBLMNAMAPK1ALDH1A1TRPA1
SCHEMBL30645565 0.96 MAOB (0.58) MAOBLMNAMAPK1ALDH1A1TRPA1
Ethylene SCHEMBL7925748 0.96 MAOB (0.58) MAOBLMNAMAPK1ALDH1A1TRPA1
SCHEMBL27491941 0.94 MAOB (0.56) MAOBLMNAMAPK1ALDH1A1TRPA1
Bicarbonate SCHEMBL16751853 0.92 MAOB (0.54) MAOBLMNAMAPK1ALDH1A1TRPA1
Butadiene SCHEMBL116599 0.92 MAOB (0.54) MAOBLMNAMAPK1ALDH1A1TRPA1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108685307-A Cosmetics containers 株式会社LG生活健康 2018-10-23 CN disclosed
CN-108634531-A Cosmetics containers 株式会社LG生活健康 2018-10-12 CN disclosed