Benzene

Benzene

SCHEMBL10967384

FOCC1CO1.c1ccccc1

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.56
ALDH1A1 P00352 6/20 0.48
TSHR P16473 5/20 0.48
TP53 P04637 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
HIF1A Q16665 2/20 0.48
CYP3A4 P08684 1/20 0.48
GLA P06280 1/20 0.41
MAPK1 P28482 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MGLL Q99685 2/20 0.36
MAPT P10636 2/20 0.34
HPGD P15428 2/20 0.34
CYP1A2 P05177 1/20 0.34
PPARG P37231 1/20 0.34

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
SCHEMBL4422929 0.92
Benzene SCHEMBL151182 0.78 TSHR (0.59) TDP1ALDH1A1TSHRTP53SMN1; SMN2
Benzene SCHEMBL25302841 0.74 TSHR (0.54) TDP1ALDH1A1TSHRTP53SMN1; SMN2
SCHEMBL1582872 0.72 TDP1 (1.00) TDP1ALDH1A1TSHRTP53SMN1; SMN2
SCHEMBL31220 0.72 TDP1 (1.00) TDP1ALDH1A1TSHRTP53SMN1; SMN2
SCHEMBL17028904 0.72 TDP1 (1.00) TDP1ALDH1A1TSHRTP53SMN1; SMN2
SCHEMBL1583161 0.72 TDP1 (1.00) TDP1ALDH1A1TSHRTP53SMN1; SMN2
SCHEMBL21178023 0.70 TDP1 (0.96) TDP1ALDH1A1TSHRTP53SMN1; SMN2
Iodide SCHEMBL9053819 0.70 TDP1 (0.96) TDP1ALDH1A1TSHRTP53SMN1; SMN2
Methane SCHEMBL28968045 0.70 TDP1 (0.96) TDP1ALDH1A1TSHRTP53SMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0062324-B1 PERFLUOROGLYCIDYL ETHERS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1985-01-09 EP disclosed
US-4384128-A Perfluoroglycidyl ethers E. I. DU PONT DE NEMOURS AND COMPANY (US) 1983-05-17 US disclosed
US-4360645-A Perfluoroglycidyl ethers E. I. DU PONT DE NEMOURS AND COMPANY (US) 1982-11-23 US disclosed
EP-0062324-A1 Perfluoroglycidyl ethers E.I. DU PONT DE NEMOURS AND COMPANY (US) 1982-10-13 EP disclosed