Sugi Predict

Sugi Predict / Compounds / Benzene

Benzene

Benzene

SCHEMBL7366164

CC(=O)SCC(C)C(=O)NN1CCCCC1.c1ccccc1

nearest known ligand 0.51

Full drug profile on Sugi Atlas →

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 4/20 0.51
▸ MME P08473 2/20 0.51
▸ HTT P42858 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.38

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 SCHEMBL10567370 1.00 ACE (0.51) ACEMMEHTTL3MBTL1
Benzene SCHEMBL7377125 0.98 ACE (0.52) ACEMMEHTTL3MBTL1
Benzene SCHEMBL10566919 0.87 ACE (0.50) ACEMME
Benzene SCHEMBL7370830 0.86 ACE (0.49) ACEMME
Benzene SCHEMBL7369670 0.86 ACE (0.49) ACEMME
Benzene SCHEMBL10569103 0.78 HTT (0.44) ACEHTTL3MBTL1
Benzene SCHEMBL7371236 0.78 HTT (0.44) ACEHTTL3MBTL1
SCHEMBL7366168 0.78 CYP1A2 (0.54) ACEMMEHTT
Benzene SCHEMBL10567714 0.76 HTT (0.41) ACEHTTL3MBTL1
SCHEMBL7377128 0.76 CYP1A2 (0.55) ACEMMEHTT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0280627-B1 DERIVATIVES OF N-SUBSTITUTED ALPHA-MERCAPTOMETHYL-BENZENE-PROPANAMIDE, PROCESS FOR THEIR PREPARATION, THEIR USE AS MEDICINES AND COMPOSITIONS CONTAINING THEM ROUSSEL-UCLAF (FR) 1993-04-21 — — EP disclosed
EP-0280627-A2 Derivatives of N-substituted alpha-mercaptomethyl-benzene-propanamide, process for their preparation, their use as medicines and compositions containing them ROUSSEL-UCLAF (FR) 1988-08-31 — — EP disclosed