SCHEMBL7983204

SCHEMBL7983204

CNC(=S)[C@H](Cc1ccccc1)NC(=O)C[C@@H](CC(C)C)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 8/20 0.58
MMP2 P08253 7/20 0.58
MMP9 P14780 7/20 0.58
MMP8 P22894 6/20 0.58
FCER2 P06734 4/20 0.58
MMP7 P09237 3/20 0.58
MMP3 P08254 2/20 0.58
ACE P12821 1/20 0.58
MMP12 P39900 2/20 0.58
MMP13 P45452 2/20 0.58
MME P08473 1/20 0.51
PSMB5 P28074 1/20 0.51

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
SCHEMBL7983199 1.00 MMP1 (0.58) MMP1MMP2MMP9MMP8FCER2
SCHEMBL7135106 0.90 ACE (0.49) MMP1MMP2MMP9MMP8FCER2
SCHEMBL7982890 0.85 ACE (0.52) MMP1MMP2MMP9MMP8FCER2
SCHEMBL7982892 0.85 ACE (0.52) MMP1MMP2MMP9MMP8FCER2
SCHEMBL4635129 0.79 MMP2 (0.76) MMP1MMP2MMP9MMP8FCER2
SCHEMBL4635134 0.79 MMP2 (0.76) MMP1MMP2MMP9MMP8FCER2
SCHEMBL7128547 0.77 MME (0.51) ACEMME
SCHEMBL7128546 0.77 MME (0.51) ACEMME
SCHEMBL7135100 0.76 MME (0.48) MMP1MMP2MMP9MMP8FCER2
SCHEMBL7068112 0.76 EPHX2 (0.47) MMP1MMP2MMP9MMP7MMP3

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-6277876-B1 Matrix metalloproteinase inhibitors LEO PHARMACEUTICAL PRODUCTS LTD. A/S (DK) 2001-08-21 US disclosed