SCHEMBL7384308

SCHEMBL7384308

CNC(=O)[C@H](Cc1cscn1)N(C(=O)C(CCCN1C(=O)c2ccccc2C1=O)SC(C)=O)C(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 2/20 0.40
MMP2 P08253 2/20 0.40
MMP3 P08254 2/20 0.40
MMP7 P09237 2/20 0.40
MMP9 P14780 2/20 0.40
MMP14 P50281 2/20 0.40
CTSK P43235 11/20 0.39
CTSL P07711 6/20 0.39
CTSS P25774 3/20 0.39
CTSB P07858 2/20 0.39
PSMB5 P28074 2/20 0.38
CAPN1 P07384 1/20 0.36
CAPN2 P17655 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
SCHEMBL7384628 0.91 MMP1 (0.40) MMP1MMP2MMP3MMP7MMP9
SCHEMBL7762274 0.82 CTSK (0.42) MMP1MMP2MMP3MMP7MMP9
SCHEMBL6414560 0.81 MMP3 (0.46) MMP1MMP2MMP3MMP7MMP9
SCHEMBL8388142 0.78 PSMB5 (0.46) MMP1MMP2MMP3MMP7MMP9
SCHEMBL7376979 0.76 CTSK (0.44) CTSKCTSLCTSSCTSBCAPN1
SCHEMBL7377048 0.76 CTSK (0.41) MMP1MMP2MMP3MMP7MMP9
SCHEMBL7481783 0.75 MMP1 (0.48) MMP1MMP2MMP3MMP7MMP9
SCHEMBL7380606 0.74 CTSK (0.40) MMP1MMP2MMP3MMP7MMP9
SCHEMBL8385691 0.74 PSMB5 (0.46) MMP1MMP2MMP3MMP7MMP9
SCHEMBL8387026 0.73 MMP1 (0.59) MMP1MMP2MMP3MMP7MMP9

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-0946166-A1 USE OF MATRIX METALLOPROTEINASE INHIBITORS FOR TREATING NEUROLOGICAL DISORDERS AND PROMOTING WOUND HEALING WARNER-LAMBERT COMPANY (US) 1999-10-06 EP disclosed
WO-1998026773-A1 USE OF MATRIX METALLOPROTEINASE INHIBITORS FOR TREATING NEUROLOGICAL DISORDERS AND PROMOTING WOUND HEALING WARNER-LAMBERT COMPANY (US) 1998-06-25 WO disclosed