SCHEMBL4621965

SCHEMBL4621965

NC(=O)CC[C@@H](C(=O)O)N(CCc1cccc(-c2ccc(C=O)cc2)c1)C(=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRIM24 O15164 1/20 0.37
TRIM33 Q9UPN9 1/20 0.37
F10 P00742 2/20 0.37
F2 P00734 1/20 0.37
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37
AOC3 Q16853 4/20 0.36
ERN1 O75460 1/20 0.35
TPH1 P17752 1/20 0.35
MMP2 P08253 2/20 0.35
MMP9 P14780 2/20 0.35
HSD17B1 P14061 1/20 0.35
HSD17B2 P37059 1/20 0.35
BCL2 P10415 1/20 0.34
BCHE P06276 1/20 0.34
HPGDS O60760 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL4621962 0.89 MMP12 (0.40) TRIM24TRIM33F10F2PRSS1
SCHEMBL3591193 0.79 ADAMTS4 (0.41) AOC3MMP2MMP9HSD17B1HSD17B2
SCHEMBL3577149 0.76 FFAR1 (0.48) F2BCL2
SCHEMBL3584964 0.74 F7 (0.44) F10F2ERN1HSD17B2
SCHEMBL4363950 0.74 MMP12 (0.42) AOC3MMP2MMP9ALDH1A1
SCHEMBL4649130 0.72 MMP2 (0.40) TPH1MMP2MMP9ALDH1A1MAPT
SCHEMBL3595967 0.71 HSD17B2 (0.50) HSD17B2
SCHEMBL6182236 0.69 HSD17B2 (0.62) AOC3ERN1HSD17B1HSD17B2BCHE
SCHEMBL25214984 0.69 MAPT (0.43) BCHEALDH1A1MAPTHPGD
SCHEMBL25195471 0.69 MAPT (0.43) BCHEALDH1A1MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1902014-A2 GLUTAMATE AGGRECANASE INHIBITORS Wyeth (US) 2008-03-26 EP disclosed
WO-2007008994-A2 GLUTAMATE AGGRECANASE INHIBITORS WYETH (US) 2007-01-18 WO disclosed