Benzene

Benzene

SCHEMBL27316296

COC(=O)NC(C(=O)NC(C(=O)OC)C(C)C)C(C)C.c1ccccc1

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.43
CA14 Q9ULX7 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
THRB P10828 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
CTSD P07339 2/20 0.41
PSENEN Q9NZ42 1/20 0.41
ALDH1A1 P00352 3/20 0.40
BIRC2 Q13490 1/20 0.40
GAA P10253 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL7607226 0.87 CA12 (0.54) CA12CA14MEN1KMT2ATAS1R3
SCHEMBL9957362 0.87 CA12 (0.54) CA12CA14MEN1KMT2ATAS1R3
SCHEMBL13823620 0.81 CTSB (0.60) CTSD
SCHEMBL3210676 0.81 CTSB (0.60) CTSD
SCHEMBL7104010 0.79 PSENEN (0.59) CTSDPSENEN
SCHEMBL2548149 0.79 PSENEN (0.59) CTSDPSENEN
SCHEMBL17137934 0.79 PSENEN (0.59) CTSDPSENEN
SCHEMBL15116402 0.79 CA12 (0.41) CA12CA14MEN1KMT2ASMN1; SMN2
SCHEMBL15116432 0.79 CA12 (0.41) CA12CA14MEN1KMT2ASMN1; SMN2
SCHEMBL29613052 0.78 MME (0.41) CA12CA14SMN1; SMN2PSENEN

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
CN-1039596-A Preparation method in conjunction with the peptide of retroviral Protease SMITHKLINE BECKMAN CORP (US) 1990-02-14 CN disclosed