SCHEMBL7380606

SCHEMBL7380606

CNC(=O)[C@@](Cc1ccccc1)(C(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)N(C(=O)OCc1ccccc1)C(=O)C(CCCCN1C(=O)c2ccccc2C1=O)SC(C)=O

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSK P43235 10/20 0.40
CTSL P07711 9/20 0.40
CTSS P25774 4/20 0.40
CTSB P07858 2/20 0.40
MMP1 P03956 2/20 0.37
MMP2 P08253 2/20 0.37
MMP3 P08254 2/20 0.37
MMP7 P09237 2/20 0.37
MMP9 P14780 2/20 0.37
MMP14 P50281 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
RAB9A P51151 1/20 0.37
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
SCHEMBL7377048 0.98 CTSK (0.41) CTSKCTSLCTSSCTSBMMP1
SCHEMBL7384005 0.95 CTSK (0.41) CTSKCTSLCTSSCTSBCYP3A4
SCHEMBL7424322 0.95 CTSK (0.42) CTSKCTSLCTSSCTSBCYP3A4
SCHEMBL7381006 0.90 CTSK (0.39) CTSKCTSLCTSSCTSBMMP1
SCHEMBL7381284 0.89 CTSK (0.41) CTSKCTSLCTSSCTSBMMP1
SCHEMBL7384376 0.89 CYP3A4 (0.41) CTSKCTSLCTSSCTSBCYP3A4
SCHEMBL7381556 0.89 NMBR (0.41) CTSKCTSBMMP2MMP7MMP9
SCHEMBL7384879 0.87 CTSK (0.41) CTSKCTSLCTSSCTSBCYP3A4
SCHEMBL7382221 0.87 CTSK (0.41) CTSKCTSLCTSSCTSBCAPN1
SCHEMBL7381745 0.87 CTSK (0.42) CTSKCTSLCTSSCTSBCAPN1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1098662-A2 COADMINISTRATION OF ACAT AND MMP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROTIC LESIONS WARNER-LAMBERT COMPANY (US) 2001-05-16 EP disclosed
EP-1047450-A1 ACE INHIBITOR-MMP INHIBITOR COMBINATIONS WARNER-LAMBERT COMPANY (US) 2000-11-02 EP disclosed
WO-2000004892-A2 COADMINISTRATION OF ACAT AND MMP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROTIC LESIONS WARNER-LAMBERT COMPANY (US) 2000-02-03 WO disclosed
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-1999032150-A1 ACE INHIBITOR-MMP INHIBITOR COMBINATIONS WARNER-LAMBERT COMPANY (US) 1999-07-01 WO 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