SCHEMBL5873415

SCHEMBL5873415

CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCCS

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.62
ALDH1A1 P00352 1/20 0.55
HSD17B10 Q99714 1/20 0.53
NPC1 O15118 1/20 0.53
KMT2A Q03164 4/20 0.52
POLB P06746 1/20 0.52
LMNA P02545 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
MEN1 O00255 3/20 0.51
SCN5A Q14524 1/20 0.50
SCN3A Q9NY46 1/20 0.50
HDAC8 Q9BY41 1/20 0.48
SCN4A P35499 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL5873425 1.00 SMN1; SMN2 (0.62) SMN1; SMN2ALDH1A1HSD17B10NPC1KMT2A
SCHEMBL4994907 0.88 SMN1; SMN2 (0.63) SMN1; SMN2ALDH1A1HSD17B10NPC1KMT2A
SCHEMBL15244828 0.88 SMN1; SMN2 (0.63) SMN1; SMN2ALDH1A1HSD17B10NPC1KMT2A
SCHEMBL24648736 0.88 SMN1; SMN2 (0.63) SMN1; SMN2ALDH1A1HSD17B10NPC1KMT2A
SCHEMBL12966021 0.87 SMN1; SMN2 (0.62) SMN1; SMN2ALDH1A1HSD17B10NPC1KMT2A
SCHEMBL31421469 0.87 SMN1; SMN2 (0.62) SMN1; SMN2ALDH1A1HSD17B10NPC1KMT2A
SCHEMBL9371448 0.86 SMN1; SMN2 (0.61) SMN1; SMN2ALDH1A1HSD17B10NPC1KMT2A
SCHEMBL20061841 0.86 SMN1; SMN2 (0.61) SMN1; SMN2ALDH1A1HSD17B10NPC1KMT2A
SCHEMBL7398961 0.86 SMN1; SMN2 (0.61) SMN1; SMN2ALDH1A1HSD17B10NPC1KMT2A
SCHEMBL32668285 0.86 SMN1; SMN2 (0.64) SMN1; SMN2ALDH1A1HSD17B10NPC1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7045360-B2 Method for analysis of reaction products PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2006-05-16 US disclosed
US-20020090728-A1 Method for analysis of reaction products PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2002-07-11 US disclosed
WO-2001057526-A1 METHOD FOR ANALYSIS OF REACTION PRODUCTS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2001-08-09 WO disclosed