SCHEMBL7402091

SCHEMBL7402091

CC(C)C[C@H](N)C(=O)N([C@@H](Cc1ccccc1)C(=O)O)S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.46
MMP3 P08254 3/20 0.40
MMP1 P03956 1/20 0.40
ACHE P22303 7/20 0.40
MAOB P27338 5/20 0.39
ANPEP P15144 1/20 0.39
RNPEP Q9H4A4 1/20 0.39
DNPEP Q9ULA0 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
BCHE P06276 2/20 0.38
MMP2 P08253 2/20 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
SCHEMBL7405706 0.97 ELANE (0.47) ELANEMMP3MMP1ACHEMAOB
SCHEMBL8511173 0.91 MMP3 (0.42) ELANEMMP3MMP1ACHEMAOB
SCHEMBL7404562 0.89 ACHE (0.41) ACHEMAOBTDP1L3MBTL1BCHE
SCHEMBL8508599 0.89 MMP3 (0.42) ELANEMMP3MMP1MAOBANPEP
SCHEMBL8510656 0.80 MMP3 (0.38) MMP3MMP1ACHEMAOBTDP1
SCHEMBL7384535 0.79 ELANE (0.44) ELANEMMP3MMP1ACHEMAOB
SCHEMBL29009464 0.76 ANPEP (0.46) ANPEPRNPEPDNPEPMMP2
SCHEMBL7763698 0.76 ELANE (0.40) ELANEMMP3MMP1ACHEMAOB
SCHEMBL7593717 0.75 ELANE (0.44) ELANEMMP3MMP1ACHEMAOB
SCHEMBL7402161 0.75 MMP3 (0.48) ELANEMMP3MMP1MAOBL3MBTL1

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-0824543-A1 PEPTIDE COMPOUNDS WHICH INHIBIT METALLOPROTEINASE AND TNF LIBERATION, AND THEIR THERAPEUTIC USE Chiroscience Limited (GB) 1998-02-25 EP disclosed
WO-1996035711-A1 PEPTIDE COMPOUNDS WHICH INHIBIT METALLOPROTEINASE AND TNF LIBERATION, AND THEIR THERAPEUTIC USE CHIROSCIENCE LIMITED (GB) 1996-11-14 WO disclosed