Benzene

Benzene

SCHEMBL8056005

O=C(O)CCC(CP(=O)(O)O)C(=O)O.c1ccccc1

nearest known ligand 0.92

Full drug profile on Sugi Atlas →

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 8/20 0.92
NAALAD2 Q9Y3Q0 1/20 0.92
GRM3 Q14832 2/20 0.71

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
SCHEMBL16528703 0.96 FOLH1 (1.00) FOLH1NAALAD2GRM3
SCHEMBL16528808 0.96 FOLH1 (1.00) FOLH1NAALAD2GRM3
SCHEMBL383173 0.96 FOLH1 (1.00) FOLH1NAALAD2GRM3
SCHEMBL8052868 0.87 FOLH1 (0.70) FOLH1NAALAD2GRM3
SCHEMBL12145031 0.84 FOLH1 (1.00) FOLH1NAALAD2GRM3
SCHEMBL4135913 0.83 GRM3 (1.00) FOLH1NAALAD2GRM3
SCHEMBL18309791 0.80 FOLH1 (0.71) FOLH1NAALAD2GRM3
SCHEMBL1374871 0.80 FOLH1 (0.71) FOLH1NAALAD2GRM3
SCHEMBL15739395 0.80 FOLH1 (0.71) FOLH1NAALAD2GRM3
SCHEMBL8155082 0.79 FOLH1 (0.59) FOLH1NAALAD2GRM3

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-6054444-A INHIBIT N-ACETYLATED ALPHA-LINKED ACIDIC DIPEPTIDASE (NAALADASE) ENZYME ACTIVITY GUILFORD PHARMACEUTICALS INC. (US) 2000-04-25 US claimed