Benzene

Benzene

SCHEMBL28096336

COC(=O)Cc1ccccc1.c1ccccc1

nearest known ligand 0.62

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.62
KDM4E B2RXH2 2/20 0.62
LMNA P02545 1/20 0.62
TSHR P16473 1/20 0.62
CYP4F2 P78329 1/20 0.62
CYP4A11 Q02928 1/20 0.62
MAPK1 P28482 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
HPGD P15428 1/20 0.59
PAM P19021 1/20 0.59
SMN1; SMN2 Q16637 2/20 0.56
CES2 O00748 1/20 0.56
CES1 P23141 1/20 0.56
AKR1B1 P15121 1/20 0.56
SLC7A5 Q01650 1/20 0.56
HSP90AB1 P08238 1/20 0.55
KMT2A Q03164 2/20 0.54
MEN1 O00255 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54

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
SCHEMBL4675 1.00 ALDH1A1 (0.62) ALDH1A1KDM4ELMNATSHRCYP4F2
SCHEMBL1870609 1.00 ALDH1A1 (0.62) ALDH1A1KDM4ELMNATSHRCYP4F2
Hydrogen Sulfide SCHEMBL28016697 0.98 ALDH1A1 (0.61) ALDH1A1KDM4ELMNATSHRCYP4F2
Phosphine SCHEMBL27697952 0.98 ALDH1A1 (0.61) ALDH1A1KDM4ELMNATSHRCYP4F2
Water SCHEMBL27293689 0.98 ALDH1A1 (0.61) ALDH1A1KDM4ELMNATSHRCYP4F2
Methyl Alcohol SCHEMBL3396251 0.98 ALDH1A1 (0.61) ALDH1A1KDM4ELMNATSHRCYP4F2
Ethane SCHEMBL10923525 0.98 ALDH1A1 (0.61) ALDH1A1KDM4ELMNATSHRCYP4F2
Hydrochloric Acid SCHEMBL9268979 0.98 ALDH1A1 (0.61) ALDH1A1KDM4ELMNATSHRCYP4F2
Ammonia Solution, Strong SCHEMBL38662792 0.98 ALDH1A1 (0.61) ALDH1A1KDM4ELMNATSHRCYP4F2
Methane SCHEMBL10924043 0.98 ALDH1A1 (0.61) ALDH1A1KDM4ELMNATSHRCYP4F2

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-109546223-A A kind of warm width electrolyte of the width of lithium ion battery 上海航天电源技术有限责任公司 2019-03-29 CN disclosed
CN-105925246-A Electricity generated acid produced by blending substances with changeable oxidation state and electrolyte and applications thereof 吉林大学 2016-09-07 CN disclosed