SCHEMBL6953223

SCHEMBL6953223

CC(C)C[C@H](NC(=O)C(S)CCCN1C(=O)c2ccccc2C1=O)C(=O)NCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 9/20 0.63
MMP1 P03956 8/20 0.63
MMP9 P14780 7/20 0.57
MMP2 P08253 3/20 0.51
MME P08473 1/20 0.48
ANPEP P15144 1/20 0.48
GAA P10253 1/20 0.48
POLB P06746 1/20 0.47
MMP8 P22894 3/20 0.46
ALDH1A1 P00352 1/20 0.46
MMP7 P09237 1/20 0.45
MMP14 P50281 1/20 0.45

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
SCHEMBL6956557 0.90 MMP9 (0.58) MMP3MMP1MMP9MMP2MME
SCHEMBL6953525 0.88 MME (0.57) MMP3MMP1MMP9MMP2MME
SCHEMBL7384525 0.87 MME (0.58) MMP3MMP1MMP9MMP2MME
SCHEMBL8387108 0.87 MME (0.58) MMP3MMP1MMP9MMP2MME
SCHEMBL6415164 0.86 MMP1 (0.58) MMP3MMP1MMP9MMP2MME
SCHEMBL7427129 0.86 MMP1 (0.58) MMP3MMP1MMP9MMP2MME
SCHEMBL7384875 0.86 MMP1 (0.58) MMP3MMP1MMP9MMP2MME
SCHEMBL7898741 0.86 MMP1 (0.58) MMP3MMP1MMP9MMP2MME
SCHEMBL7479163 0.85 MME (0.57) MMP3MMP1MMP9MMP2MME
SCHEMBL6951780 0.84 MMP3 (0.46) MMP3MMP1MMP9MMP2MME

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-0824544-B1 PEPTIDYL COMPOUNDS WHICH INHIBIT METALLOPROTEINASE AND TNF LIBERATION AND THEIR THERAPEUTIC USE DARWIN DISCOVERY LTD (GB) 2003-04-16 EP claimed