SCHEMBL7402160

SCHEMBL7402160

CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)CCCCN1C(=O)c2ccccc2C1=O

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 12/20 0.60
MMP1 P03956 12/20 0.60
MMP2 P08253 12/20 0.60
MMP9 P14780 8/20 0.60
MMP7 P09237 7/20 0.60
MMP14 P50281 4/20 0.60
PSMB5 P28074 4/20 0.52
MMP8 P22894 5/20 0.51
FCER2 P06734 1/20 0.51
ADAM17 P78536 1/20 0.49
MMP12 P39900 1/20 0.49
MMP13 P45452 1/20 0.49
HPGD P15428 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
PSMB8 P28062 1/20 0.48
PSMB9 P28065 1/20 0.48
PSMB10 P40306 1/20 0.48
PSMB2 P49721 1/20 0.48

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
SCHEMBL7397757 0.99 MMP3 (0.61) MMP3MMP1MMP2MMP9MMP7
SCHEMBL7403300 0.97 MMP1 (0.60) MMP3MMP1MMP2MMP9MMP7
SCHEMBL7397714 0.93 MMP1 (0.55) MMP3MMP1MMP2MMP9MMP7
SCHEMBL7404781 0.87 MMP3 (0.58) MMP3MMP1MMP2MMP9MMP7
SCHEMBL6416194 0.87 MMP1 (0.58) MMP3MMP1MMP2MMP9MMP7
SCHEMBL7381282 0.87 MMP1 (0.58) MMP3MMP1MMP2MMP9MMP7
SCHEMBL7897220 0.87 MMP1 (0.56) MMP3MMP1MMP2MMP9MMP7
SCHEMBL8764329 0.87 MMP1 (0.58) MMP3MMP1MMP2MMP9MMP7
SCHEMBL7593715 0.87 MMP1 (0.57) MMP3MMP1MMP2MMP9MMP7
SCHEMBL6415164 0.86 MMP1 (0.58) MMP3MMP1MMP2MMP9MMP7

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