Benzene

Benzene

SCHEMBL9743648

CCCOC(=O)OOC(=O)OCCC.c1ccccc1

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.52
ALDH1A1 P00352 7/20 0.48
HCAR2 Q8TDS4 1/20 0.45
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TSHR P16473 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
ESR1 P03372 1/20 0.41
CHRM1 P11229 1/20 0.41
SLC6A2 P23975 1/20 0.41
KDR P35968 1/20 0.41
ALOX5 P09917 1/20 0.39
HPGD P15428 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35

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
SCHEMBL35898 0.92 HCAR2 (0.44) LMNAALDH1A1HCAR2GAATSHR
Methyl Alcohol SCHEMBL28457148 0.90 HCAR2 (0.43) LMNAALDH1A1HCAR2SMN1; SMN2TSHR
SCHEMBL127658 0.88 HCAR2 (0.43) LMNAALDH1A1HCAR2GAASMN1; SMN2
SCHEMBL11770607 0.85 ALDH1A1 (0.57) LMNAALDH1A1HCAR2GAATSHR
Hydrogen Peroxide SCHEMBL28922349 0.84 ALDH1A1 (0.53) LMNAALDH1A1HCAR2GAASMN1; SMN2
Benzene SCHEMBL28158846 0.82 NAAA (0.55) LMNAALDH1A1HCAR2TSHRMAPT
SCHEMBL2766956 0.82 HCAR2 (0.41) LMNAALDH1A1HCAR2SMN1; SMN2TSHR
SCHEMBL4239650 0.82 ALDH1A1 (0.45) LMNAALDH1A1HCAR2TSHRTDP1
Bicarbonate SCHEMBL21462683 0.81 ALDH1A1 (0.50) LMNAALDH1A1HCAR2GAASMN1; SMN2
Bicarbonate SCHEMBL278365 0.81 ALDH1A1 (0.50) LMNAALDH1A1HCAR2GAASMN1; SMN2

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
US-5122580-A Polymerizing a mixture of unsaturated monomers in a tube by heating progressively from one end to the other LUMENYTE INTERNATIONAL CORPORATION (US) 1992-06-16 US disclosed