Benzene

Benzene

SCHEMBL6899326

C(OCC1CO1)C1CO1.C=CCOCC1CO1.c1ccccc1

nearest known ligand 0.84

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.84
TSHR P16473 3/20 0.43
TDP1 Q9NUW8 2/20 0.41
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
HIF1A Q16665 1/20 0.36
GLA P06280 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MGLL Q99685 3/20 0.32

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
Benzene SCHEMBL6990573 0.98 ALDH1A1 (0.88) ALDH1A1TSHRTDP1MAPK1SMN1; SMN2
SCHEMBL27672259 0.94 ALDH1A1 (0.95) ALDH1A1TSHRTDP1MAPK1SMN1; SMN2
SCHEMBL15162 0.92
SCHEMBL8064669 0.92
Methane SCHEMBL6049887 0.90
Ethylene SCHEMBL28860341 0.90 ALDH1A1 (0.95) ALDH1A1TSHRTDP1MAPK1SMN1; SMN2
SCHEMBL10425203 0.90
Fluoride SCHEMBL8522213 0.90
SCHEMBL28295080 0.90 ALDH1A1 (0.87) ALDH1A1TSHRTDP1MAPK1SMN1; SMN2
SCHEMBL28196537 0.90

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
JP-2004318069-A PHOTOSENSITIVE COMPOSITION FOR VOLUME HOLOGRAM RECORDING AND PHOTOSENSITIVE MEDIUM FOR VOLUME HOLOGRAM RECORDING DAINIPPON PRINTING CO LTD 2004-11-11 JP disclosed