SCHEMBL7480288

SCHEMBL7480288

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

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 7/20 0.53
MME P08473 1/20 0.48
CAPN1 P07384 2/20 0.45
REN P00797 1/20 0.44
CTSL P07711 3/20 0.44
CTSK P43235 3/20 0.44
ABCB1 P08183 1/20 0.43
CTSB P07858 1/20 0.43
CTSS P25774 1/20 0.43
BIRC2 Q13490 1/20 0.42

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
SCHEMBL7424750 0.87 MMP1 (0.46) MMP1CAPN1RENCTSLCTSK
SCHEMBL8764285 0.82 MMP1 (0.53) MMP1MMECAPN1REN
SCHEMBL7420777 0.81 MMP1 (0.41) MMP1CAPN1RENCTSLCTSK
SCHEMBL8764249 0.81 MMP1 (0.45) MMP1MMECTSLCTSKCTSB
SCHEMBL7426256 0.79 MMP1 (0.54) MMP1REN
SCHEMBL7426614 0.79 MMP1 (0.74) MMP1MMEREN
SCHEMBL6411607 0.79 MMP1 (0.74) MMP1MMEREN
SCHEMBL7377811 0.79 MMP1 (0.74) MMP1MMEREN
SCHEMBL7427886 0.76 MMP1 (0.47) MMP1MMECAPN1REN
SCHEMBL8390276 0.75 MME (0.68) 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 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