SCHEMBL7365041

SCHEMBL7365041

CC(C)CCC(=O)N(O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)C

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 2/20 0.55
MMP8 P22894 2/20 0.55
MMP14 P50281 1/20 0.55
PYGL P06737 11/20 0.47
MMP3 P08254 1/20 0.43
PSMB1 P20618 1/20 0.43
PSMB5 P28074 1/20 0.43
PSMB2 P49721 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
MME P08473 1/20 0.42
ACE P12821 1/20 0.42
NAALAD2 Q9Y3Q0 1/20 0.42

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
SCHEMBL8749847 0.82 NAALAD2 (0.52) MMP9MMEACENAALAD2
SCHEMBL7354243 0.82 NAALAD2 (0.52) MMP9MMEACENAALAD2
SCHEMBL7358479 0.80 ALOX5 (0.44) MMP9MMP8MMP14PYGLMMP3
SCHEMBL7360065 0.79 MMP1 (0.51) MMP9MMP8MMP3
SCHEMBL7357715 0.78 NPC1 (0.49) MMP9MMP8MMP14PSMB1PSMB5
SCHEMBL7752030 0.78 MMP9 (0.54) MMP9MMP8MMP14PYGLMMP3
SCHEMBL6897320 0.78 MMP9 (0.54) MMP9MMP8MMP14PYGLMMP3
SCHEMBL7363512 0.77 MMP3 (0.45) MMP8MMP3PSMB1PSMB5PSMB2
SCHEMBL6420230 0.77 LMNA (0.41) MMP9MMP8MMP14MMP3PSMB1
SCHEMBL7357691 0.77 CTSL (0.45) MMP8MMP3PSMB1PSMB5PSMB2

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-5691382-A ENZYME INHIBITORS FOR CARDIOVASCULAR DISORDERS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1997-11-25 US disclosed
EP-0667770-B1 INHIBITION OF TNF PRODUCTION BRITISH BIOTECH PHARM (GB) 1997-03-19 EP disclosed
EP-0667770-A1 INHIBITION OF TNF PRODUCTION. BRITISH BIOTECH PHARM (GB) 1995-08-23 EP disclosed
WO-1994010990-A1 INHIBITION OF TNF PRODUCTION BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1994-05-26 WO disclosed