SCHEMBL5679564

SCHEMBL5679564

CC(C)(C)OC(=O)C(C(=O)O)C(CCCc1ccc(Cl)cc1)C(=O)N1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 9/20 0.42
PPARG P37231 2/20 0.41
PPARA Q07869 2/20 0.41
DPP8 Q6V1X1 1/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
HPGD P15428 3/20 0.39
ALDH1A1 P00352 3/20 0.39
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MMP13 P45452 1/20 0.38
MME P08473 1/20 0.38
POLB P06746 1/20 0.37

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
SCHEMBL5677809 0.80 DPP7 (0.44) DPP7PPARGPPARADPP8KMT2A
SCHEMBL5677985 0.78 DPP7 (0.44) DPP7PPARGPPARADPP8KMT2A
SCHEMBL5680040 0.74 DPP7 (0.45) DPP7PPARGPPARADPP8HPGD
SCHEMBL5680044 0.73 DPP7 (0.40) DPP7PPARGPPARADPP8HPGD
SCHEMBL10418518 0.73 DPP7 (0.49) DPP7PPARGPPARADPP8HPGD
SCHEMBL5680601 0.69 PPARA (0.51) PPARGPPARAKMT2AGAAMME
SCHEMBL5680061 0.68 MMP1 (0.45) DPP7DPP8HPGDALDH1A1RAB9A
SCHEMBL5680065 0.68 MMP1 (0.60) DPP7MMP13
SCHEMBL3719212 0.68 PPARA (0.60) PPARGPPARAALDH1A1GAA
SCHEMBL3719214 0.68 PPARA (0.60) PPARGPPARAALDH1A1GAA

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-0934292-B1 METALLOPROTEINASE INHIBITORS VERNALIS OXFORD LTD (GB) 2006-03-15 EP disclosed
US-6022873-A Metalloproteinase inhibitors BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2000-02-08 US disclosed
EP-0934292-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1999-08-11 EP disclosed
WO-1998017655-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1998-04-30 WO disclosed