SCHEMBL10185597

SCHEMBL10185597

CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)Nc1cccc(F)c1

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.66
NPSR1 Q6W5P4 5/20 0.65
NPC1 O15118 1/20 0.65
MEN1 O00255 3/20 0.64
KMT2A Q03164 3/20 0.64
LMNA P02545 1/20 0.60
TSHR P16473 1/20 0.57
USP30 Q70CQ3 1/20 0.55
ALDH1A1 P00352 3/20 0.54
GAA P10253 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.53
SIRT2 Q8IXJ6 2/20 0.53
TDP1 Q9NUW8 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.51

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
SCHEMBL30019623 0.89 HSD17B10 (0.58) USP2NPSR1NPC1MEN1KMT2A
SCHEMBL27347893 0.89 HSD17B10 (0.58) USP2NPSR1NPC1MEN1KMT2A
SCHEMBL29165122 0.89 HSD17B10 (0.58) USP2NPSR1NPC1MEN1KMT2A
SCHEMBL23559008 0.88 NPSR1 (0.70) NPSR1NPC1MEN1KMT2ALMNA
SCHEMBL1752674 0.87 NPC1 (0.65) USP2NPSR1NPC1MEN1KMT2A
SCHEMBL6452966 0.87 NPC1 (0.78) USP2NPSR1NPC1MEN1KMT2A
SCHEMBL15586684 0.87 NPC1 (0.65) USP2NPSR1NPC1MEN1KMT2A
SCHEMBL29639973 0.87 NPC1 (0.71) NPSR1NPC1MEN1KMT2ALMNA
SCHEMBL2525285 0.86 NPC1 (0.77) NPSR1NPC1MEN1KMT2ALMNA
SCHEMBL2389717 0.86 NPC1 (0.77) NPSR1NPC1MEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012009678-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHOD OF USE AGIOS PHARMACEUTICALS, INC. (US) 2012-01-19 WO disclosed