SCHEMBL2567398

SCHEMBL2567398

CC(C)(C)OC(=O)COCC1CCCCN1C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.34
POLB P06746 1/20 0.34
PDE8B O95263 1/20 0.34
HPGD P15428 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ABHD6 Q9BV23 1/20 0.33
DAGLA Q9Y4D2 1/20 0.33
KDM1A O60341 1/20 0.33
FKBP1A P62942 3/20 0.33
USP2 O75604 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
PREP P48147 1/20 0.32

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
SCHEMBL3832136 0.96 HSD17B10 (0.38) HSD17B10POLBSMN1; SMN2USP2
SCHEMBL2566481 0.96 HSD17B10 (0.38) HSD17B10POLBSMN1; SMN2USP2
SCHEMBL2569354 0.90 HSD17B10 (0.32) HSD17B10HPGDSMN1; SMN2
SCHEMBL3763846 0.89 PDE8B (0.43) HSD17B10PDE8BHPGDSMN1; SMN2KDM1A
SCHEMBL3635836 0.87 HSD17B10 (0.38) HSD17B10PDE8BHPGDSMN1; SMN2KDM1A
SCHEMBL2490765 0.85 HSD17B10 (0.43) HSD17B10PDE8BSMN1; SMN2NPC1
SCHEMBL29039261 0.85 HSD17B10 (0.43) HSD17B10PDE8BSMN1; SMN2NPC1
SCHEMBL3771067 0.85 HSD17B10 (0.43) HSD17B10PDE8BSMN1; SMN2NPC1
SCHEMBL30129954 0.83 HSD17B10 (0.37) HSD17B10POLBPDE8BHPGDSMN1; SMN2
SCHEMBL25254934 0.83 HSD17B10 (0.36) HSD17B10POLBHPGDSMN1; SMN2USP2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2066659-B1 SUBSTITUTED SULFONAMIDE DERIVATIVES GRUENENTHAL GMBH (DE) 2013-08-28 EP disclosed
EP-2383267-A1 Substituted sulfonamide derivatives Grünenthal GmbH (DE) 2011-11-02 EP disclosed
EP-2066659-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2009-06-10 EP disclosed
WO-2008040492-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2008-04-10 WO disclosed