SCHEMBL5605029

SCHEMBL5605029

O=C(O)ON1CCCC1C(=O)Nc1ccc(N2CCOCC2=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F10 P00742 15/20 0.52
MAPT P10636 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 1/20 0.42
PTGS2 P35354 1/20 0.42

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
SCHEMBL4206705 0.87 F10 (0.48) F10MAPT
SCHEMBL5605023 0.84 F10 (0.57) F10MAPTTDP1ALDH1A1PTGS2
SCHEMBL85602 0.80 F10 (0.55) F10ALDH1A1
SCHEMBL75813 0.79 NPC1 (0.63) F10LMNAALDH1A1PTGS2
SCHEMBL8269738 0.79 NPC1 (0.63) F10LMNAALDH1A1PTGS2
SCHEMBL76617 0.78 F10 (0.73) F10MAPTPTGS2
SCHEMBL76106 0.78 F10 (0.73) F10MAPTPTGS2
SCHEMBL76591 0.78 F10 (0.73) F10MAPTPTGS2
SCHEMBL76592 0.78 F10 (0.73) F10MAPTPTGS2
SCHEMBL76107 0.78 F10 (0.73) F10MAPTPTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1791597-A2 CARBONYL COMPOUND-CONTAINING DRUG AND THE USE THEREOF Merck Patent GmbH (DE) 2007-06-06 EP disclosed
WO-2006032342-A2 CARBONYL COMPOUND-CONTAINING DRUG AND THE USE THEREOF MERCK PATENT GMBH (DE) 2006-03-30 WO disclosed