SCHEMBL7426256

SCHEMBL7426256

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

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 18/20 0.54
REN P00797 1/20 0.45
MMP3 P08254 8/20 0.44
MMP8 P22894 7/20 0.44
MMP2 P08253 7/20 0.44
MMP9 P14780 5/20 0.44
MMP7 P09237 4/20 0.44
FCER2 P06734 1/20 0.44
ADAM17 P78536 1/20 0.43
MMP12 P39900 1/20 0.43
MMP13 P45452 1/20 0.43
MMP14 P50281 1/20 0.43

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
SCHEMBL7427886 0.94 MMP1 (0.47) MMP1REN
SCHEMBL8764718 0.85 MMP1 (0.50) MMP1MMP3MMP8MMP2MMP9
SCHEMBL8764285 0.84 MMP1 (0.53) MMP1RENMMP2MMP9MMP7
SCHEMBL7488102 0.83 MMP1 (0.47) MMP1RENMMP3MMP8MMP2
SCHEMBL7383157 0.81 MMP1 (0.62) MMP1RENMMP3MMP8MMP2
SCHEMBL7424246 0.81 MMP1 (0.62) MMP1RENMMP3MMP8MMP2
SCHEMBL7426252 0.81 MMP1 (0.62) MMP1RENMMP3MMP8MMP2
SCHEMBL6413299 0.81 MMP1 (0.62) MMP1RENMMP3MMP8MMP2
SCHEMBL7480288 0.79 MMP1 (0.53) MMP1REN
SCHEMBL7428922 0.78 MMP1 (0.63) MMP1RENMMP3MMP8MMP2

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