SCHEMBL5246013

SCHEMBL5246013

CC(C)(C)OC(=O)N1CCCC[C@@H]1OC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.47
HPGD P15428 1/20 0.47
EPHX1 P07099 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.41
PREP P48147 1/20 0.40
USP2 O75604 1/20 0.39
NPC1 O15118 1/20 0.39
GPR119 Q8TDV5 1/20 0.39
RECQL P46063 1/20 0.38

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
SCHEMBL10782598 1.00 HSD17B10 (0.47) HSD17B10HPGDEPHX1SMN1; SMN2PREP
SCHEMBL7355124 0.89 HSD17B10 (0.43) HSD17B10HPGDEPHX1SMN1; SMN2USP2
SCHEMBL27720507 0.88 HPGD (0.47) HSD17B10HPGDEPHX1SMN1; SMN2PREP
SCHEMBL26603927 0.88 HPGD (0.47) HSD17B10HPGDEPHX1SMN1; SMN2PREP
SCHEMBL28516773 0.84 HPGD (0.49) HSD17B10HPGDEPHX1SMN1; SMN2PREP
SCHEMBL28100905 0.84 HPGD (0.49) HSD17B10HPGDEPHX1SMN1; SMN2PREP
SCHEMBL27999183 0.83 HSD17B10 (0.48) HSD17B10HPGDEPHX1SMN1; SMN2USP2
SCHEMBL28104634 0.81 KDM4E (0.47) NPC1GPR119
SCHEMBL15221624 0.80 HPGD (0.46) HSD17B10HPGDEPHX1SMN1; SMN2PREP
SCHEMBL31197652 0.80 HPGD (0.46) HSD17B10HPGDEPHX1SMN1; SMN2PREP

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
EP-1831197-A2 SUBSTITUTED OXINDOLE DERIVATIVES, MEDICAMENTS CONTAINING SAID DERIVATIVES AND USE THEREOF Abbott GmbH & Co. KG (DE) 2007-09-12 EP disclosed
WO-2006072458-A2 SUBSTITUTED OXINDOLE DERIVATIVES, MEDICAMENTS CONTAINING SAID DERIVATIVES AND USE THEREOF ABBOTT GMBH & CO. KG (DE) 2006-07-13 WO disclosed
EP-0310918-A2 Peptide-like amino-acid derivatives F. HOFFMANN-LA ROCHE AG (CH) 1989-04-12 EP disclosed