SCHEMBL14845549

SCHEMBL14845549

C=C(O)[C@H]1CCCN1C(=O)OC(C)(C)C

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.62
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ NPC1 O15118 1/20 0.51
▸ LMNA P02545 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ UCHL1 P09936 2/20 0.47
▸ KMT2A Q03164 3/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ POLB P06746 1/20 0.45
▸ KLK7 P49862 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ RAB9A P51151 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
SCHEMBL14816941 1.00 HSD17B10 (0.62) HSD17B10SMN1; SMN2NPC1LMNANPSR1
SCHEMBL29935483 0.89 HSD17B10 (0.60) HSD17B10SMN1; SMN2NPC1LMNANPSR1
SCHEMBL28953620 0.89 HSD17B10 (0.60) HSD17B10SMN1; SMN2NPC1LMNANPSR1
SCHEMBL14748405 0.87 HSD17B10 (0.58) HSD17B10SMN1; SMN2NPC1LMNANPSR1
SCHEMBL67044 0.87 HSD17B10 (0.69) HSD17B10SMN1; SMN2NPC1LMNANPSR1
SCHEMBL6219872 0.87 HSD17B10 (0.69) HSD17B10SMN1; SMN2NPC1LMNANPSR1
SCHEMBL27877016 0.87 HSD17B10 (0.69) HSD17B10SMN1; SMN2NPC1LMNANPSR1
SCHEMBL85536 0.87 HSD17B10 (0.69) HSD17B10SMN1; SMN2NPC1LMNANPSR1
SCHEMBL67045 0.87 HSD17B10 (0.69) HSD17B10SMN1; SMN2NPC1LMNANPSR1
SCHEMBL20492528 0.85 HSD17B10 (0.68) HSD17B10SMN1; SMN2NPC1LMNANPSR1

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-8415482-B2 Proline derivatives NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2013-04-09 — — US disclosed
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