SCHEMBL7595170

SCHEMBL7595170

CNC(=O)[C@H](Cc1ccccc1)N(CCN1C(=O)c2ccccc2C1=O)C(=O)[C@@H](N)CC(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.46
MMP1 P03956 8/20 0.41
MMP9 P14780 6/20 0.41
MMP3 P08254 6/20 0.41
MMP2 P08253 4/20 0.41
MMP7 P09237 3/20 0.41
MMP14 P50281 3/20 0.41
MAOB P27338 2/20 0.41
ANPEP P15144 1/20 0.39
RNPEP Q9H4A4 1/20 0.39
DNPEP Q9ULA0 1/20 0.39
MMP8 P22894 1/20 0.38
MMP13 P45452 1/20 0.38
GAA P10253 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 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
SCHEMBL7593717 0.94 ELANE (0.44) ELANEMMP1MMP9MMP3MMP2
SCHEMBL7591572 0.90 ELANE (0.47) ELANEMMP1MMP9MMP3MMP2
SCHEMBL7397719 0.85 ELANE (0.44) ELANEMMP1MMP9MMP3MMP2
SCHEMBL7403302 0.83 MMP1 (0.48) ELANEMMP1MMP9MMP3MMP2
SCHEMBL7402161 0.83 MMP3 (0.48) ELANEMMP1MMP9MMP3MMP2
SCHEMBL7397759 0.82 MMP3 (0.49) ELANEMMP1MMP9MMP3MMP2
SCHEMBL8508599 0.82 MMP3 (0.42) ELANEMMP1MMP9MMP3MMP2
SCHEMBL7367575 0.81 ANPEP (0.46) MMP1MMP9MMP3MMP2MMP7
SCHEMBL8511173 0.81 MMP3 (0.42) ELANEMMP1MMP9MMP3MMP2
SCHEMBL7589246 0.78 MMP1 (0.40) MMP1MMP9MMP3MMP2MMP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0826000-B1 PEPTIDE COMPOUNDS WHICH INHIBIT METALLOPROTEINASE AND TNF LIBERATION AND THEIR THERAPEUTIC USES DARWIN DISCOVERY LTD (GB) 2002-10-23 EP disclosed