SCHEMBL6940875

SCHEMBL6940875

CCOC(=O)CC[C@H](C)CNC(=O)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.50
HTT P42858 1/20 0.48
BCHE P06276 2/20 0.48
ACHE P22303 2/20 0.48
CACNA1F O60840 1/20 0.48
CACNA1D Q01668 1/20 0.48
CACNA1S Q13698 1/20 0.48
CACNA1C Q13936 1/20 0.48
SYK P43405 1/20 0.47
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
SIRT2 Q8IXJ6 1/20 0.46
SIRT1 Q96EB6 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
KMT2A Q03164 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45

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
SCHEMBL6943800 1.00 HSD17B10 (0.50) HSD17B10HTTBCHEACHECACNA1F
SCHEMBL28017164 0.88 HTT (0.48) HSD17B10HTTBCHEACHECACNA1F
SCHEMBL6404796 0.87 HTT (0.59) HTTSYKLMNASMN1; SMN2CTSK
SCHEMBL6940690 0.87 HTT (0.59) HTTSYKLMNASMN1; SMN2CTSK
SCHEMBL18086889 0.85 CTSK (0.55) HSD17B10HTTSYKLMNASMN1; SMN2
SCHEMBL28869105 0.85 HSD17B10 (0.46) HSD17B10HTTBCHEACHECACNA1F
SCHEMBL6943807 0.85 HTT (0.50) HTTSYKLMNASMN1; SMN2CTSK
SCHEMBL6946489 0.85 HTT (0.50) HTTSYKLMNASMN1; SMN2CTSK
SCHEMBL18085401 0.83 CTSL (0.57) HSD17B10HTTSYKLMNASMN1; SMN2
SCHEMBL2723527 0.83 LMNA (0.52) HTTSYKLMNASMN1; SMN2L3MBTL1

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
WO-2003103653-A1 METHODS OF TREATING ALZHEIMER'S DISEASE USING ARYL ALKANOIC ACID AMIDES ELAN PHARMACEUTICALS, INC. (US) 2003-12-18 WO disclosed