Benzene

Benzene

SCHEMBL28645862

C=CCC=Cc1ccccc1.c1ccccc1

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.50
PAM P19021 1/20 0.50
ALDH1A1 P00352 2/20 0.48
MAOB P27338 2/20 0.48
TSHR P16473 1/20 0.48
HTR2A P28223 3/20 0.47
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
RELA Q04206 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SIGMAR1 Q99720 1/20 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
SCHEMBL30681 1.00 IDO1 (0.50) IDO1PAMALDH1A1MAOBTSHR
SCHEMBL9903527 1.00 IDO1 (0.50) IDO1PAMALDH1A1MAOBTSHR
Charcoal, Activated SCHEMBL9723294 0.98 IDO1 (0.48) IDO1PAMALDH1A1MAOBTSHR
SCHEMBL29695833 0.98 IDO1 (0.48) IDO1PAMALDH1A1MAOBTSHR
Butadiene SCHEMBL11880051 0.95 IDO1 (0.47) IDO1PAMALDH1A1MAOBTSHR
Styrene SCHEMBL8983406 0.93 ALDH1A1 (0.61) IDO1PAMALDH1A1MAOBTSHR
Vinyl Ether SCHEMBL28933316 0.89 IDO1 (0.47) IDO1PAMALDH1A1MAOBTSHR
SCHEMBL8055038 0.89 HTR2A (0.44) IDO1PAMALDH1A1MAOBTSHR
SCHEMBL4566672 0.89 PAM (0.47) IDO1PAMALDH1A1MAOBTSHR
Phenol SCHEMBL27962172 0.89 PAM (0.47) IDO1PAMMAOBHTR2AMAPT

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-214200854-U Oil mist collection system 大连产品质量检验检测研究院有限公司 2021-09-14 CN disclosed