SCHEMBL8478452

SCHEMBL8478452

C[C@@H](O)[C@H](N)C(=O)C1CCCN1C(=O)OC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ POLB P06746 1/20 0.45
▸ LMNA P02545 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ DPP4 P27487 1/20 0.44
▸ PREP P48147 1/20 0.44
▸ DPP7 Q9UHL4 1/20 0.44
▸ SCN4A P35499 1/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ UCHL1 P09936 1/20 0.42
▸ SCN5A Q14524 1/20 0.41
▸ SCN3A Q9NY46 1/20 0.41

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
SCHEMBL8478457 1.00 HSD17B10 (0.51) HSD17B10SMN1; SMN2NPC1POLBLMNA
SCHEMBL5411479 0.84 HSD17B10 (0.57) HSD17B10SMN1; SMN2NPC1POLBLMNA
SCHEMBL13819936 0.84 HSD17B10 (0.57) HSD17B10SMN1; SMN2NPC1POLBLMNA
SCHEMBL5411482 0.84 HSD17B10 (0.57) HSD17B10SMN1; SMN2NPC1POLBLMNA
SCHEMBL15113629 0.80 HSD17B10 (0.52) HSD17B10SMN1; SMN2NPC1POLBLMNA
SCHEMBL12158537 0.80 HSD17B10 (0.52) HSD17B10SMN1; SMN2NPC1POLBLMNA
SCHEMBL27760282 0.80 HSD17B10 (0.50) HSD17B10SMN1; SMN2NPC1POLBLMNA
Hydrochloric Acid SCHEMBL28874591 0.80 HSD17B10 (0.52) HSD17B10SMN1; SMN2NPC1POLBLMNA
SCHEMBL13827672 0.80 POLB (0.53) HSD17B10SMN1; SMN2NPC1POLBLMNA
SCHEMBL28605470 0.79 POLB (0.53) HSD17B10SMN1; SMN2NPC1POLBLMNA

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
US-5939560-A AMINE COMPOUNDS AS ENZYME INHIBITORS FERRING B.V. (NL) 1999-08-17 — — US disclosed
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