Benzene

Benzene

SCHEMBL7029282

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

nearest known ligand 0.34

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.32
GRM3 Q14832 1/20 0.32
MEN1 O00255 2/20 0.32
CYP1A2 P05177 2/20 0.32
KMT2A Q03164 2/20 0.32
ALDH1A1 P00352 2/20 0.32
THRB P10828 1/20 0.32
FFAR3 O14843 1/20 0.32
CTNNB1 P35222 1/20 0.31
RIPK1 Q13546 2/20 0.31
TSHR P16473 1/20 0.30

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
SCHEMBL7081652 0.95 FFAR3 (0.35) GRM2GRM3MEN1CYP1A2KMT2A
Chloroform SCHEMBL5415078 0.85 MEN1 (0.30) MEN1CYP1A2KMT2AALDH1A1THRB
SCHEMBL51201 0.80 FFAR3 (0.41) GRM2GRM3MEN1CYP1A2KMT2A
Ethylene Glycol SCHEMBL5469827 0.78 FFAR3 (0.35) GRM2GRM3MEN1CYP1A2KMT2A
Alcohol SCHEMBL5149703 0.78 ALDH1A1 (0.35) GRM2GRM3MEN1CYP1A2KMT2A
SCHEMBL9489101 0.77 FFAR3 (0.39) GRM2GRM3MEN1CYP1A2KMT2A
SCHEMBL3673385 0.77 ALDH1A1 (0.39) GRM2GRM3MEN1CYP1A2KMT2A
SCHEMBL104624 0.77 FFAR3 (0.39) GRM2GRM3MEN1CYP1A2KMT2A
SCHEMBL17818653 0.77 FFAR3 (0.39) GRM2GRM3MEN1CYP1A2KMT2A
SCHEMBL4382923 0.77 FFAR3 (0.39) GRM2GRM3MEN1CYP1A2KMT2A

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-20040265397-A1 Herbal composition for treatment of chronic renal failure and method to produce thereof JIANGSU KANION PHARMACEUTICAL CO., LTD. (CN) 2004-12-30 US claimed