SCHEMBL5677985

SCHEMBL5677985

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 7/20 0.44
DPP8 Q6V1X1 1/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
ALDH1A1 P00352 3/20 0.39
RAB9A P51151 3/20 0.39
HPGD P15428 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 2/20 0.39
GAA P10253 1/20 0.39
HTT P42858 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
HRH3 Q9Y5N1 3/20 0.37
SLC6A2 P23975 2/20 0.37
HRH1 P35367 2/20 0.37
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
CHRM2 P08172 1/20 0.37
ADRA2C P18825 1/20 0.37
SLC6A4 P31645 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) DPP7DPP8KMT2AMEN1ALDH1A1
SCHEMBL5679564 0.78 DPP7 (0.42) DPP7DPP8KMT2AMEN1ALDH1A1
SCHEMBL10418518 0.76 DPP7 (0.49) DPP7DPP8ALDH1A1RAB9AHPGD
SCHEMBL5680040 0.66 DPP7 (0.45) DPP7DPP8ALDH1A1RAB9AHPGD
SCHEMBL5680601 0.65 PPARA (0.51) KMT2AGAAPPARGPPARA
SCHEMBL10419416 0.65 AKR1C3 (0.48) ALDH1A1SMN1; SMN2PPARGPPARA
SCHEMBL8097277 0.65 HPGD (0.63) KMT2AMEN1ALDH1A1RAB9AHPGD
SCHEMBL11312936 0.64 PPARA (0.64) PPARGPPARA
SCHEMBL7696588 0.64 L3MBTL1 (0.45) KMT2AMEN1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL22617062 0.63 MEN1 (0.46) DPP7DPP8KMT2AMEN1ALDH1A1

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