Benzene

Benzene

SCHEMBL9320024

O=S(=O)(O)OS(=O)(=O)O.c1ccccc1.c1ccccc1

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.44
TSHR P16473 3/20 0.40
TDP1 Q9NUW8 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.38
CA5A P35218 2/20 0.36
CA5B Q9Y2D0 2/20 0.36
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
CA1 P00915 1/20 0.31
NT5E P21589 1/20 0.31
CA4 P22748 1/20 0.31
CA6 P23280 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31

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
SCHEMBL56331 0.88 CA2 (0.54) CA2TSHRTDP1CA5ACA5B
SCHEMBL3781 0.88
Bicarbonate SCHEMBL3688947 0.85 CA2 (0.44) CA2TSHRTDP1CA5ACA5B
Methane SCHEMBL7363776 0.84 CA2 (0.50) CA2TSHRTDP1CA5ACA5B
SCHEMBL10495537 0.84 CA2 (0.50) CA2TSHRTDP1CA5ACA5B
Sulfuric Acid SCHEMBL560688 0.84 CA5A (0.55) CA2TSHRTDP1CA5ACA5B
Water SCHEMBL10934974 0.84 CA2 (0.50) CA2TSHRTDP1CA5ACA5B
SCHEMBL337658 0.84 CA2 (0.50) CA2TSHRTDP1CA5ACA5B
SCHEMBL6905632 0.84 CA2 (0.50) CA2TSHRTDP1CA5ACA5B
Water SCHEMBL2456364 0.84 CA2 (0.50) CA2TSHRTDP1CA5ACA5B

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-5278030-A Comprising a polyoxyethylene glycol polyethers DU PONT-HOWSON LIMITED (GB) 1994-01-11 US disclosed