SCHEMBL7360049

SCHEMBL7360049

CNC(=O)[C@H](Cc1ccc(C#N)cc1)NC(=O)N(O)C(=O)CCCC(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 10/20 0.38
MMP8 P22894 7/20 0.38
CHRM3 P20309 2/20 0.37
MMP2 P08253 8/20 0.37
MMP3 P08254 7/20 0.37
MMP9 P14780 6/20 0.37
CHRM2 P08172 1/20 0.36
MME P08473 2/20 0.36
ACE P12821 2/20 0.36
ADAM17 P78536 1/20 0.36
PSMB11 A5LHX3 1/20 0.36
PSMD11 O00231 1/20 0.36
PSMD12 O00232 1/20 0.36
PSMD14 O00487 1/20 0.36
PSMA7 O14818 1/20 0.36
PSMD3 O43242 1/20 0.36
PSMC3 P17980 1/20 0.36
PSMB1 P20618 1/20 0.36
PSMA1 P25786 1/20 0.36
PSMA2 P25787 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
SCHEMBL7363203 0.86 MMP1 (0.40) MMP1MMP8MMP2MMP3MMP9
SCHEMBL7360065 0.86 MMP1 (0.51) MMP1MMP8MMP2MMP3MMP9
SCHEMBL6416552 0.84 MMP1 (0.54) MMP1MMP8MMP2MMP3MMP9
SCHEMBL6416222 0.84 MMP1 (0.39) MMP1MMP8MMP2MMP3MMP9
SCHEMBL7354511 0.82 MMP1 (0.44) MMP1MMP8MMP2MMP3MMP9
SCHEMBL7356588 0.82 MMP1 (0.41) MMP1MMP8MMP2MMP3MMP9
SCHEMBL7364166 0.80 MMP9 (0.41) MMP1MMP8MMP2MMP3MMP9
SCHEMBL7356834 0.80 MMP1 (0.41) MMP1MMP8MMP2MMP3MMP9
SCHEMBL7363512 0.78 MMP3 (0.45) MMP1MMP8MMP2MMP3PSMB11
SCHEMBL7357715 0.77 NPC1 (0.49) MMP1MMP8MMP9PSMB11PSMA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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