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SCHEMBL8764113

SCHEMBL8764113

COC(=O)CCCC(S)C(=O)N[C@@H](CC(C)C)C(=O)NC(Cc1ccccc1)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 10/20 0.63
▸ ACE P12821 9/20 0.59
▸ CPA1 P15085 7/20 0.59
▸ ACE2 Q9BYF1 7/20 0.59
▸ MMP1 P03956 2/20 0.53
▸ REN P00797 1/20 0.52

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
SCHEMBL8390537 1.00 MME (0.63) MMEACECPA1ACE2MMP1
SCHEMBL7384919 1.00 MME (0.63) MMEACECPA1ACE2MMP1
SCHEMBL7382939 0.97 MME (0.61) MMEACECPA1ACE2MMP1
SCHEMBL8385738 0.97 MME (0.61) MMEACECPA1ACE2MMP1
SCHEMBL8387195 0.94 MME (0.65) MMEACECPA1ACE2MMP1
SCHEMBL7382552 0.92 MMP1 (0.63) MMEMMP1REN
SCHEMBL7428922 0.92 MMP1 (0.63) MMEMMP1REN
SCHEMBL6419589 0.92 MMP1 (0.63) MMEMMP1REN
SCHEMBL7424246 0.89 MMP1 (0.62) MMEMMP1REN
SCHEMBL6413299 0.89 MMP1 (0.62) MMEMMP1REN

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-0784629-A1 PEPTIDYL COMPOUNDS AND THEIR THERAPEUTIC USE AS INHIBITORS OF METALLOPROTEASES Chiroscience Limited (GB) 1997-07-23 — — EP claimed
WO-1996011209-A1 PEPTIDYL COMPOUNDS AND THEIR THERAPEUTIC USE AS INHIBITORS OF METALLOPROTEASES CHIROSCIENCE LIMITED (GB) 1996-04-18 — — WO claimed