Benzene

Benzene

SCHEMBL27569477

COC(=O)N[C@@H](Cc1ccccc1)C(=O)O.c1ccccc1

nearest known ligand 0.59

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MME P08473 5/20 0.59
FPR2 P25090 2/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
NPSR1 Q6W5P4 1/20 0.58
ACE P12821 5/20 0.58
ALDH1A1 P00352 1/20 0.57
GAA P10253 1/20 0.57
NAALAD2 Q9Y3Q0 1/20 0.56
KMT2A Q03164 1/20 0.56
CPA1 P15085 4/20 0.55
ACE2 Q9BYF1 4/20 0.55
ATM Q13315 1/20 0.54

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 SCHEMBL27550557 1.00 MME (0.59) MMEFPR2L3MBTL1NPSR1ACE
SCHEMBL627437 1.00 MME (0.59) MMEFPR2L3MBTL1NPSR1ACE
SCHEMBL754129 1.00 MME (0.59) MMEFPR2L3MBTL1NPSR1ACE
Benzene SCHEMBL27550555 1.00 MME (0.59) MMEFPR2L3MBTL1NPSR1ACE
SCHEMBL205548 1.00 MME (0.59) MMEFPR2L3MBTL1NPSR1ACE
SCHEMBL2720887 0.95 MME (0.61) MMEFPR2L3MBTL1ACECPA1
SCHEMBL24534147 0.94 MME (0.61) MMEFPR2L3MBTL1ACEALDH1A1
SCHEMBL24534148 0.94 MME (0.61) MMEFPR2L3MBTL1ACEALDH1A1
SCHEMBL19888359 0.92 MME (0.65) MMEACECPA1ACE2
SCHEMBL2720880 0.92 MME (0.65) MMEACECPA1ACE2

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-1340552-A Process for preparing chiral separation fixed phase of molecular brand polymer DALIAN CHEMICAL PHYSICS INST (CN) 2002-03-20 CN disclosed