SCHEMBL8200998

SCHEMBL8200998

CNC(=O)[C@H](NC(=O)C(CCC(C)C)(CN1C(=O)c2ccccc2C1=O)C(=O)OCc1ccccc1)C(C)(C)SCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 8/20 0.38
MMP3 P08254 7/20 0.38
MMP2 P08253 6/20 0.38
MMP9 P14780 5/20 0.38
MMP8 P22894 2/20 0.38
MMP13 P45452 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
RAB9A P51151 1/20 0.38
MMP7 P09237 3/20 0.35
MMP14 P50281 3/20 0.35
MAPT P10636 1/20 0.34
SDCBP O00560 1/20 0.31
SDC2 P34741 1/20 0.31
CTSK P43235 1/20 0.31

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
SCHEMBL7377721 0.79 MMP1 (0.43) MMP1MMP3MMP2MMP9MMP8
SCHEMBL9010635 0.77 RAB9A (0.42) CYP3A4CYP2D6CYP2C9CYP2C19RAB9A
SCHEMBL8189876 0.74 MMP1 (0.43) MMP1MMP3MMP2MMP9MMP8
SCHEMBL8198456 0.72 MMP1 (0.64) MMP1MMP3MMP2MMP9MMP8
SCHEMBL27258950 0.68 MMP2 (0.44) MMP1MMP3MMP2MMP9MMP8
SCHEMBL8198041 0.65 MMP2 (0.39) MMP1MMP3MMP2MMP9MMP8
SCHEMBL6948374 0.63 PTPN1 (0.45) CYP3A4CYP2D6CYP2C9CYP2C19RAB9A
SCHEMBL7405620 0.62 RAB9A (0.42) CYP3A4CYP2D6CYP2C9CYP2C19RAB9A
SCHEMBL7405615 0.62 RAB9A (0.42) CYP3A4CYP2D6CYP2C9CYP2C19RAB9A
SCHEMBL9287472 0.62 MMP9 (0.41) MMP1MMP3MMP2MMP9MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6017889-A Metalloproteinase inhibitors BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2000-01-25 US disclosed
EP-0740655-B1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARM (GB) 1999-10-20 EP disclosed
EP-0740655-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1996-11-06 EP disclosed
WO-1995019961-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1995-07-27 WO disclosed