SCHEMBL9555116

SCHEMBL9555116

CC(C)(C)OC(=O)N1CCCCC1[C]=O

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.45
▸ CTSK P43235 1/20 0.43
▸ EPHX1 P07099 1/20 0.42
▸ PREP P48147 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RECQL P46063 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39

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
SCHEMBL7380781 1.00 HPGD (0.48) HPGDHSD17B10CTSKEPHX1PREP
SCHEMBL5171011 0.95 HSD17B10 (0.49) HPGDHSD17B10CTSKSMN1; SMN2NPC1
SCHEMBL7855614 0.95 HSD17B10 (0.49) HPGDHSD17B10CTSKSMN1; SMN2NPC1
SCHEMBL2355780 0.95 HSD17B10 (0.49) HPGDHSD17B10CTSKSMN1; SMN2NPC1
SCHEMBL9554546 0.88 CTSK (0.42) HPGDHSD17B10CTSKEPHX1PREP
SCHEMBL10082580 0.86 HPGD (0.50) HPGDHSD17B10CTSKEPHX1PREP
SCHEMBL19055875 0.86 DPP4 (0.51) HPGDCTSKPREP
SCHEMBL15317053 0.86 HPGD (0.50) HPGDHSD17B10CTSKEPHX1PREP
SCHEMBL82202 0.86 DPP4 (0.51) HPGDCTSKPREP
SCHEMBL525478 0.86 HPGD (0.50) HPGDHSD17B10CTSKEPHX1PREP

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-5250517-A Hypotensive and cardiotonic agents; cardiac insufficiency HOFFMANN-LA ROCHE INC. (US) 1993-10-05 — — US claimed
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