SCHEMBL7403302

SCHEMBL7403302

CNC(=O)[C@H](Cc1ccccc1)N(C(=O)CCCN1C(=O)c2ccccc2C1=O)C(=O)[C@@H](N)CC(C)C

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 7/20 0.48
MMP3 P08254 7/20 0.48
MMP2 P08253 6/20 0.48
MMP9 P14780 5/20 0.48
MMP7 P09237 3/20 0.48
MMP14 P50281 3/20 0.48
ELANE P08246 1/20 0.43
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 2/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
MMP8 P22894 1/20 0.38
MMP13 P45452 1/20 0.38
HPGD P15428 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL7402161 0.97 MMP3 (0.48) MMP1MMP3MMP2MMP9MMP7
SCHEMBL7397759 0.96 MMP3 (0.49) MMP1MMP3MMP2MMP9MMP7
SCHEMBL7397719 0.95 ELANE (0.44) MMP1MMP3MMP2MMP9MMP7
SCHEMBL7403845 0.86 HPGD (0.43) MMP1MMP3MMP2MMP9MMP7
SCHEMBL7593717 0.85 ELANE (0.44) MMP1MMP3MMP2MMP9MMP7
SCHEMBL7595170 0.83 ELANE (0.46) MMP1MMP3MMP2MMP9MMP7
SCHEMBL8510054 0.83 ANPEP (0.43) MMP1MMP3MMP2MMP9MMP7
SCHEMBL8508599 0.82 MMP3 (0.42) MMP1MMP3MMP2MMP9MMP7
SCHEMBL8764880 0.82 ANPEP (0.42) MMP1MMP3MMP2MMP9MMP7
SCHEMBL7403732 0.82 LTA4H (0.42) MMP1MMP3MMP2MMP9MMP7

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
WO-1996035711-A1 PEPTIDE COMPOUNDS WHICH INHIBIT METALLOPROTEINASE AND TNF LIBERATION, AND THEIR THERAPEUTIC USE CHIROSCIENCE LIMITED (GB) 1996-11-14 WO claimed
WO-1996035711-A1 PEPTIDE COMPOUNDS WHICH INHIBIT METALLOPROTEINASE AND TNF LIBERATION, AND THEIR THERAPEUTIC USE CHIROSCIENCE LIMITED (GB) 1996-11-14 WO disclosed