SCHEMBL3456532

SCHEMBL3456532

CCOC(=O)C(COCc1c(C)cccc1C)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.43
GAA P10253 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 2/20 0.40
PIN1 Q13526 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
PKM P14618 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
LMNA P02545 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 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
SCHEMBL3456378 0.87 L3MBTL1 (0.42) GAAL3MBTL1SMN1; SMN2LMNAHSD17B10
SCHEMBL820725 0.84 MMP8 (0.51) MMP8GAAKDM4EPIN1SMN1; SMN2
SCHEMBL20995910 0.80 MMP8 (0.48) MMP8GAAKDM4EPIN1SMN1; SMN2
SCHEMBL888482 0.80 MMP8 (0.48) MMP8GAAKDM4EPIN1SMN1; SMN2
SCHEMBL819324 0.77 MMP8 (0.51) MMP8GAAKDM4EPIN1SMN1; SMN2
SCHEMBL23027214 0.75 GAA (0.62) MMP8GAAL3MBTL1KDM4EPIN1
SCHEMBL805646 0.75 GAA (0.62) MMP8GAAL3MBTL1KDM4EPIN1
SCHEMBL5972492 0.75 MMP8 (0.56) MMP8GAAKDM4EPIN1SMN1; SMN2
SCHEMBL260296 0.75 GAA (0.62) MMP8GAAL3MBTL1KDM4EPIN1
SCHEMBL11763689 0.75 MMP8 (0.49) MMP8GAAKDM4EPIN1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1601251-B1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS WELLSTAT THERAPEUTICS CORP (US) 2014-11-12 EP disclosed
EP-2266946-A2 Compound For The Treatment Of Metabolic Disorders Wellstat Therapeutics Corporation (US) 2010-12-29 EP disclosed
EP-1601251-A4 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS WELLSTAT THERAPEUTICS CORP (US) 2007-03-28 EP disclosed
EP-1601251-A2 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS Wellstat Therapeutics Corporation (US) 2005-12-07 EP disclosed
WO-2004073611-A2 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS WELLSTAT THERAPEUTICS CORPORATION (US) 2004-09-02 WO disclosed