SCHEMBL11106331

SCHEMBL11106331

CSCC[C@H](NC(=O)C(C)S)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACE P12821 2/20 0.61
RNPEP Q9H4A4 1/20 0.52
LMNA P02545 1/20 0.50
FOLH1 Q04609 1/20 0.49
FNTA P49354 2/20 0.47
FNTB P49356 2/20 0.47
PGGT1B P53609 1/20 0.47
LTA4H P09960 1/20 0.47
ALDH1A1 P00352 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MME P08473 1/20 0.47
CPA1 P15085 1/20 0.47
ACE2 Q9BYF1 1/20 0.47
CA2 P00918 1/20 0.45

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
SCHEMBL29204872 0.86 LMNA (0.53) LMNAFOLH1FNTAFNTBPGGT1B
SCHEMBL11105424 0.85 ACE (0.46) ACERNPEPFNTAFNTBPGGT1B
SCHEMBL4957057 0.84 LMNA (0.51) LMNAFOLH1FNTAFNTBPGGT1B
SCHEMBL4953101 0.84 LMNA (0.51) LMNAFOLH1FNTAFNTBPGGT1B
SCHEMBL29851702 0.84 LMNA (0.51) LMNAFOLH1FNTAFNTBPGGT1B
SCHEMBL4572626 0.84 LMNA (0.51) LMNAFOLH1FNTAFNTBPGGT1B
SCHEMBL9068525 0.83 FNTA (0.51) ACELMNAFNTAFNTBPGGT1B
SCHEMBL3101246 0.83 FNTA (0.50) LMNAFOLH1FNTAFNTBPGGT1B
SCHEMBL1859748 0.83 FNTA (0.50) LMNAFOLH1FNTAFNTBPGGT1B
SCHEMBL9400601 0.83 FNTA (0.50) LMNAFOLH1FNTAFNTBPGGT1B

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-4460601-A Dipeptides having a methionine residue and possessing a protective action for the liver MAGGIONI FARMACEUTICI, S.P.A. (IT) 1984-07-17 US disclosed