SCHEMBL7426252

SCHEMBL7426252

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

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 16/20 0.62
MME P08473 1/20 0.54
MMP2 P08253 7/20 0.53
MMP3 P08254 6/20 0.53
REN P00797 1/20 0.52
MMP8 P22894 5/20 0.51
MMP7 P09237 4/20 0.51
MMP9 P14780 4/20 0.51
ADAM17 P78536 1/20 0.51
MMP12 P39900 1/20 0.51
MMP13 P45452 1/20 0.51
MMP14 P50281 1/20 0.51
FCER2 P06734 1/20 0.50

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
SCHEMBL6413299 1.00 MMP1 (0.62) MMP1MMEMMP2MMP3REN
SCHEMBL7383157 1.00 MMP1 (0.62) MMP1MMEMMP2MMP3REN
SCHEMBL7424246 1.00 MMP1 (0.62) MMP1MMEMMP2MMP3REN
SCHEMBL7382552 0.97 MMP1 (0.63) MMP1MMEMMP2MMP3REN
SCHEMBL7428922 0.97 MMP1 (0.63) MMP1MMEMMP2MMP3REN
SCHEMBL6419589 0.97 MMP1 (0.63) MMP1MMEMMP2MMP3REN
SCHEMBL7385849 0.93 MMP1 (0.65) MMP1MMEMMP2MMP3REN
SCHEMBL6416810 0.93 MMP1 (0.65) MMP1MMEMMP2MMP3REN
SCHEMBL7382939 0.92 MME (0.61) MMP1MMEREN
SCHEMBL8385738 0.92 MME (0.61) MMP1MMEREN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1063991-A1 STATIN-MATRIX METALLOPROTEINASE INHIBITOR COMBINATIONS WARNER-LAMBERT COMPANY LLC (US) 2001-01-03 EP disclosed
EP-1047450-A1 ACE INHIBITOR-MMP INHIBITOR COMBINATIONS WARNER-LAMBERT COMPANY (US) 2000-11-02 EP disclosed
WO-1999047138-A1 STATIN-MATRIX METALLOPROTEINASE INHIBITOR COMBINATIONS WARNER-LAMBERT COMPANY (US) 1999-09-23 WO disclosed
WO-1999032150-A1 ACE INHIBITOR-MMP INHIBITOR COMBINATIONS WARNER-LAMBERT COMPANY (US) 1999-07-01 WO disclosed