SCHEMBL8203379

SCHEMBL8203379

CC(C)[C@@H]1NC(=O)[C@@H](NC(=O)c2ccc[nH]2)Cc2ccc(cc2)OCCCC[C@@H](C=O)N(C)C1=O

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CAPN2 P17655 12/20 0.54
MMP1 P03956 6/20 0.48
MMP2 P08253 6/20 0.48
MMP3 P08254 6/20 0.48
MMP7 P09237 6/20 0.48
CPB2 Q96IY4 2/20 0.39

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
SCHEMBL931203 0.86 CAPN2 (0.68) CAPN2MMP1MMP2MMP3MMP7
SCHEMBL930000 0.81 CAPN2 (0.54) CAPN2MMP1MMP2MMP3MMP7
SCHEMBL15869944 0.79 CAPN2 (0.52) CAPN2MMP1MMP2MMP3MMP7
SCHEMBL8209264 0.70 CAPN2 (1.00) CAPN2CPB2
SCHEMBL8203817 0.69 CAPN2 (0.98) CAPN2MMP1MMP2MMP3MMP7
SCHEMBL931991 0.66 CAPN2 (0.77) CAPN2MMP1MMP2MMP3MMP7
SCHEMBL8206132 0.66 CAPN2 (0.82) CAPN2MMP1MMP2MMP3MMP7
SCHEMBL931593 0.65 CAPN2 (0.57) CAPN2MMP1MMP2MMP3MMP7
SCHEMBL12943169 0.65 CAPN2 (0.56) CAPN2MMP1MMP2MMP3MMP7
SCHEMBL12943215 0.65 CAPN2 (0.54) CAPN2MMP1MMP2MMP3MMP7

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
WO-2008048121-A2 MACROCYCLIC CYSTEINE PROTEASE INHIBITORS AND COMPOSITIONS THEREOF LINCOLN UNIVERSITY (NZ) 2008-04-24 WO disclosed