SCHEMBL10512917

SCHEMBL10512917

CC(C)(C)OC(=O)N1CCCC1[C]=C=O

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.47
▸ HPGD P15428 1/20 0.43
▸ CTSK P43235 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ LMNA P02545 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ KMT2A Q03164 1/20 0.40

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
SCHEMBL7855614 0.87 HSD17B10 (0.49) HSD17B10HPGDCTSKSMN1; SMN2NPC1
SCHEMBL2355780 0.87 HSD17B10 (0.49) HSD17B10HPGDCTSKSMN1; SMN2NPC1
SCHEMBL5171011 0.87 HSD17B10 (0.49) HSD17B10HPGDCTSKSMN1; SMN2NPC1
SCHEMBL1357066 0.83 DPP4 (0.56) HSD17B10CTSK
SCHEMBL240005 0.83 DPP4 (0.56) HSD17B10CTSK
SCHEMBL7380781 0.83 HPGD (0.48) HSD17B10HPGDCTSKSMN1; SMN2NPC1
SCHEMBL3188564 0.83 HSD17B10 (0.55) HSD17B10HPGDCTSKSMN1; SMN2NPC1
SCHEMBL231219 0.83 HSD17B10 (0.55) HSD17B10HPGDCTSKSMN1; SMN2NPC1
SCHEMBL889059 0.83 HSD17B10 (0.55) HSD17B10HPGDCTSKSMN1; SMN2NPC1
SCHEMBL2896482 0.83 DPP4 (0.56) HSD17B10CTSK

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
EP-0310918-A2 Peptide-like amino-acid derivatives F. HOFFMANN-LA ROCHE AG (CH) 1989-04-12 — — EP claimed
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