SCHEMBL8858199

SCHEMBL8858199

CCP(=O)(CC(CCc1ccccc1)C(=O)N(C(=O)[C@@H](N)CC(C)C)c1ccccc1)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(C)=O

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 10/20 0.54
MMP1 P03956 3/20 0.54
CPA1 P15085 1/20 0.51
CPA2 P48052 1/20 0.51
CPA4 Q9UI42 1/20 0.51
MMP2 P08253 3/20 0.46
ERAP2 Q6P179 1/20 0.43
ERAP1 Q9NZ08 1/20 0.43
LNPEP Q9UIQ6 1/20 0.43
PSMB9 P28065 1/20 0.38
ACE P12821 3/20 0.37
F2 P00734 2/20 0.37
PLK1 P53350 2/20 0.36
LMNA P02545 1/20 0.36
PLK3 Q9H4B4 1/20 0.36
PLK2 Q9NYY3 1/20 0.36

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
SCHEMBL7391699 0.88 MMP3 (0.69) MMP3MMP1CPA1CPA2CPA4
SCHEMBL7399623 0.87 MMP3 (0.60) MMP3MMP1CPA1CPA2CPA4
SCHEMBL7398560 0.85 MMP3 (0.54) MMP3MMP1CPA1CPA2CPA4
SCHEMBL8343741 0.73 MMP3 (0.47) MMP3MMP1CPA1CPA2CPA4
SCHEMBL8858202 0.72 MMP3 (0.54) MMP3MMP1CPA1CPA2CPA4
SCHEMBL6203155 0.67 MMP3 (0.75) MMP3MMP1CPA1CPA2CPA4
SCHEMBL11765562 0.66 MMP3 (0.58) MMP3MMP1CPA1CPA2CPA4
SCHEMBL11765572 0.66 MMP3 (0.58) MMP3MMP1CPA1CPA2CPA4
SCHEMBL6203160 0.64 MMP3 (0.69) MMP3MMP1CPA1CPA2CPA4
SCHEMBL6416214 0.64 MMP3 (0.57) MMP3MMP1CPA1CPA2CPA4

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
US-5679700-A STROMELYSIN INHIBITOR MERCK & CO., INC. (US) 1997-10-21 US disclosed