SCHEMBL5056535

SCHEMBL5056535

CC(C)(C)OC(=O)NN1CCC[C@H]1C(=O)N1CCCC1C(N)=O

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.41
NPC1 O15118 1/20 0.39
PIK3CA P42336 4/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PIK3CD O00329 2/20 0.37
PIK3CB P42338 2/20 0.37
PIK3CG P48736 2/20 0.37
DPP4 P27487 1/20 0.36
LMNA P02545 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ACE P12821 1/20 0.35
PIK3C2B O00750 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
BTK Q06187 1/20 0.35
UCHL1 P09936 1/20 0.34
KLK5 Q9Y337 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
SCHEMBL3604405 1.00 HSD17B10 (0.41) HSD17B10NPC1PIK3CASMN1; SMN2PIK3CD
SCHEMBL3597539 0.84 OPRM1 (0.36) HSD17B10NPC1
SCHEMBL3597277 0.81 DPP4 (0.46) DPP4
SCHEMBL30388232 0.79 HSD17B10 (0.44) HSD17B10NPC1SMN1; SMN2LMNANPSR1
SCHEMBL1907844 0.79 HSD17B10 (0.44) HSD17B10NPC1SMN1; SMN2LMNANPSR1
SCHEMBL1903239 0.78 KLK5 (0.42) HSD17B10NPC1SMN1; SMN2MEN1KMT2A
SCHEMBL240483 0.76 HSD17B10 (0.59) HSD17B10NPC1SMN1; SMN2LMNANPSR1
SCHEMBL2225858 0.76 HSD17B10 (0.59) HSD17B10NPC1SMN1; SMN2LMNANPSR1
SCHEMBL239130 0.76 HSD17B10 (0.59) HSD17B10NPC1SMN1; SMN2LMNANPSR1
SCHEMBL2744394 0.75 MEN1 (0.48) SMN1; SMN2DPP4MEN1KMT2AACE

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-1919864-A2 FAP INHIBITORS Ferring B.V. (NL) 2008-05-14 EP disclosed
WO-2007085895-A2 FAP INHIBITORS FERRING B.V. (US) 2007-08-02 WO disclosed