SCHEMBL7310902

SCHEMBL7310902

CC(C)C[C@H](CC(=O)CS)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 2/20 0.50
MMP9 P14780 2/20 0.50
MMP1 P03956 1/20 0.50
SLC1A3 P43003 2/20 0.48
SLC1A2 P43004 2/20 0.48
MME P08473 5/20 0.47
CPA1 P15085 1/20 0.46
RNPEP Q9H4A4 1/20 0.45
LAP3 P28838 2/20 0.41
ANPEP P15144 1/20 0.41
SLC7A5 Q01650 1/20 0.40
SLC1A1 P43005 1/20 0.37
CACNA2D1 P54289 2/20 0.35
CACNB3 P54284 1/20 0.35
CACNA1C Q13936 1/20 0.35
ENPEP Q07075 1/20 0.35
PGR P06401 1/20 0.35
ADRA1A P35348 1/20 0.35
HTR2B P41595 1/20 0.35
CACNA2D2 Q9NY47 1/20 0.35

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
SCHEMBL7262370 0.78 MME (0.56) SLC1A3SLC1A2MMECPA1RNPEP
SCHEMBL2967728 0.78 SLC1A3 (0.56) SLC1A3SLC1A2MMECPA1RNPEP
SCHEMBL2977232 0.78 SLC1A3 (0.56) SLC1A3SLC1A2MMECPA1RNPEP
SCHEMBL307076 0.78 MME (0.56) SLC1A3SLC1A2MMECPA1RNPEP
SCHEMBL5870523 0.78 MME (0.56) SLC1A3SLC1A2MMECPA1RNPEP
SCHEMBL841290 0.78 SLC1A3 (0.56) SLC1A3SLC1A2MMECPA1RNPEP
SCHEMBL276879 0.77 SLC1A3 (0.73) SLC1A3SLC1A2MMECPA1RNPEP
SCHEMBL25762254 0.76 SLC1A3 (0.54) SLC1A3SLC1A2MMECPA1RNPEP
SCHEMBL9551527 0.74
SCHEMBL11764498 0.74 SLC1A3 (0.70) SLC1A3SLC1A2MMECPA1RNPEP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0818443-B1 Mercaptoketones and mercaptoalcohols, a process for their preparation and their use as inhibitors of matrix metalloproteinases AMERICAN CYANAMID CO (US) 2001-12-05 EP disclosed
US-6160132-A Mercaptoketones and mercaptoalcohols and a process for their preparation AMERICAN CYANAMID COMPANY (US) 2000-12-12 US disclosed
US-6124502-A Mercaptoketones and mercaptoalcohols and a process for their preparation AMERICAN CYANAMID COMPANY (US) 2000-09-26 US disclosed
US-5852213-A Mercaptoketones and mercaptoalcohols and a process for their preparation AMERICAN CYANAMID COMPANY (US) 1998-12-22 US disclosed
EP-0818443-A2 Mercaptoketones and mercaptoalcohols, a process for their preparation and their use as inhibitors of matrix metalloproteinases American Cyanamid Company (US) 1998-01-14 EP disclosed