SCHEMBL5677809

SCHEMBL5677809

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 7/20 0.44
MMP13 P45452 1/20 0.44
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
DPP8 Q6V1X1 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TSHR P16473 1/20 0.40
POLB P06746 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MC4R P32245 1/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
CHRM2 P08172 1/20 0.39
ADRA2C P18825 1/20 0.39

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
SCHEMBL5680601 0.81 PPARA (0.51) GAAKMT2APPARGPPARA
SCHEMBL5677985 0.80 DPP7 (0.44) DPP7ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL5679564 0.80 DPP7 (0.42) DPP7MMP13ALDH1A1SMN1; SMN2NPC1
SCHEMBL8655236 0.72 MMP2 (0.48)
SCHEMBL10418518 0.71 DPP7 (0.49) DPP7ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL22035491 0.70 CNR1 (0.37) DPP7SMN1; SMN2DPP8MEN1KMT2A
SCHEMBL8651824 0.70 GRIK1 (0.42) SMN1; SMN2NPC1RAB9AGAAMEN1
SCHEMBL5400150 0.70 GRIK1 (0.54)
SCHEMBL1915429 0.70 KMT2A (0.52) MEN1KMT2APPARGPPARA
SCHEMBL1915428 0.70 KMT2A (0.52) MEN1KMT2APPARGPPARA

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