SCHEMBL7488102

SCHEMBL7488102

CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)N(C(=O)OCc1ccccc1)C(=O)C(CCC(=O)OC)SC(C)=O

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 15/20 0.47
MMP2 P08253 5/20 0.42
MMP3 P08254 4/20 0.42
MMP9 P14780 4/20 0.42
MMP7 P09237 3/20 0.42
MMP14 P50281 1/20 0.42
FCER2 P06734 6/20 0.42
ADAM17 P78536 1/20 0.42
MMP8 P22894 3/20 0.41
CAPN1 P07384 1/20 0.41
REN P00797 1/20 0.41

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
SCHEMBL7481783 0.86 MMP1 (0.48) MMP1MMP2MMP3MMP9MMP7
SCHEMBL7429302 0.84 MMP1 (0.55) MMP1MMP2MMP9MMP8REN
SCHEMBL7420777 0.84 MMP1 (0.41) MMP1MMP2MMP3MMP9MMP7
SCHEMBL7482029 0.84 MMP1 (0.41) MMP1MMP2MMP3MMP9MMP8
SCHEMBL7426256 0.83 MMP1 (0.54) MMP1MMP2MMP3MMP9MMP7
SCHEMBL6416218 0.81 MMP1 (0.56) MMP1MMP2MMP3MMP9MMP7
SCHEMBL7424750 0.81 MMP1 (0.46) MMP1MMP2MMP3CAPN1REN
SCHEMBL7427886 0.77 MMP1 (0.47) MMP1CAPN1REN
SCHEMBL7887188 0.77 MMP1 (0.54) MMP1MMP2MMP3MMP9MMP7
SCHEMBL6412175 0.77 MMP1 (0.54) MMP1MMP2MMP3MMP9MMP7

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-1047450-A1 ACE INHIBITOR-MMP INHIBITOR COMBINATIONS WARNER-LAMBERT COMPANY (US) 2000-11-02 EP disclosed
WO-1999032150-A1 ACE INHIBITOR-MMP INHIBITOR COMBINATIONS WARNER-LAMBERT COMPANY (US) 1999-07-01 WO disclosed