SCHEMBL8762973

SCHEMBL8762973

CNC(=O)[C@@H](N)C(C)(C)S

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.56
MAPT P10636 1/20 0.56
PTGS1 P23219 1/20 0.56
DPP4 P27487 1/20 0.34
MMP1 P03956 2/20 0.31
MMP3 P08254 1/20 0.31
MMP9 P14780 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
SCHEMBL1174655 0.80 DPP4 (0.50) ALDH1A1MAPTPTGS1DPP4MMP1
SCHEMBL342534 0.80 DPP4 (0.50) ALDH1A1MAPTPTGS1DPP4MMP1
SCHEMBL343358 0.80 DPP4 (0.50) ALDH1A1MAPTPTGS1DPP4MMP1
Hydrochloric Acid SCHEMBL2005458 0.78 DPP4 (0.48) ALDH1A1MAPTPTGS1DPP4MMP1
SCHEMBL3416457 0.78 SPHK1 (0.41) ALDH1A1MAPTPTGS1DPP4
Hydrochloric Acid SCHEMBL2005453 0.78 DPP4 (0.48) ALDH1A1MAPTPTGS1DPP4MMP1
Hydrochloric Acid SCHEMBL20721188 0.78 DPP4 (0.48) ALDH1A1MAPTPTGS1DPP4MMP1
SCHEMBL22553488 0.77 ALDH1A1 (0.52) ALDH1A1MAPTPTGS1DPP4
SCHEMBL8202933 0.76 MAPT (0.34) ALDH1A1MAPTPTGS1DPP4
SCHEMBL12867478 0.76 MAPT (0.34) ALDH1A1MAPTPTGS1DPP4

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
EP-0784629-A1 PEPTIDYL COMPOUNDS AND THEIR THERAPEUTIC USE AS INHIBITORS OF METALLOPROTEASES Chiroscience Limited (GB) 1997-07-23 EP disclosed
EP-0740655-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1996-11-06 EP disclosed
WO-1996011209-A1 PEPTIDYL COMPOUNDS AND THEIR THERAPEUTIC USE AS INHIBITORS OF METALLOPROTEASES CHIROSCIENCE LIMITED (GB) 1996-04-18 WO disclosed
WO-1995019961-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1995-07-27 WO disclosed