SCHEMBL5873417

SCHEMBL5873417

CCN(S)C(=O)C1CCCN1C(=O)OC(C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
NPC1 O15118 1/20 0.48
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
LMNA P02545 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ALDH1A1 P00352 1/20 0.46
UCHL1 P09936 2/20 0.46
USP30 Q70CQ3 2/20 0.46
POLB P06746 1/20 0.45
SCN5A Q14524 1/20 0.44
SCN3A Q9NY46 1/20 0.44
SCN4A P35499 1/20 0.43

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
SCHEMBL4994919 0.85 HSD17B10 (0.52) HSD17B10SMN1; SMN2NPC1KMT2AMEN1
SCHEMBL489823 0.81 HSD17B10 (0.57) HSD17B10SMN1; SMN2NPC1KMT2AMEN1
SCHEMBL12361317 0.80 HSD17B10 (0.50) HSD17B10SMN1; SMN2NPC1KMT2AMEN1
SCHEMBL7129588 0.79 HSD17B10 (0.54) HSD17B10SMN1; SMN2NPC1KMT2AMEN1
SCHEMBL7122088 0.79 HSD17B10 (0.54) HSD17B10SMN1; SMN2NPC1KMT2AMEN1
SCHEMBL7122083 0.79 HSD17B10 (0.54) HSD17B10SMN1; SMN2NPC1KMT2AMEN1
SCHEMBL3723517 0.79 POLB (0.51) HSD17B10SMN1; SMN2NPC1KMT2AMEN1
SCHEMBL10031609 0.79 HSD17B10 (0.57) HSD17B10SMN1; SMN2NPC1KMT2AMEN1
SCHEMBL903389 0.79 HSD17B10 (0.57) HSD17B10SMN1; SMN2NPC1KMT2AMEN1
SCHEMBL15924964 0.78 HSD17B10 (0.51) HSD17B10SMN1; SMN2NPC1KMT2AMEN1

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