SCHEMBL4599733

SCHEMBL4599733

CCOC(=O)C(C)CC1CCN(C(=O)O)CC1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
GAA P10253 3/20 0.41
MAPT P10636 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
THRB P10828 1/20 0.38
ATM Q13315 1/20 0.38
ALDH1A1 P00352 5/20 0.38
KDM4E B2RXH2 1/20 0.36
NOS3 P29474 1/20 0.36
NOS2 P35228 1/20 0.36
TP53 P04637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL1839297 0.82 POLB (0.38) ALDH1A1
SCHEMBL21564360 0.81 HPGD (0.45) GAAMAPTL3MBTL1ALDH1A1KDM4E
SCHEMBL31082333 0.81 HPGD (0.45) GAAMAPTL3MBTL1ALDH1A1KDM4E
SCHEMBL3154922 0.79 SMN1; SMN2 (0.50) CYP3A4CYP2C19L3MBTL1ALDH1A1
SCHEMBL16530180 0.79 MAPT (0.44) CYP3A4CYP2C19GAAMAPTL3MBTL1
SCHEMBL13889046 0.78 METAP2 (0.45) L3MBTL1THRBATMALDH1A1
SCHEMBL27793398 0.78 ALDH1A1 (0.40) ALDH1A1
SCHEMBL21550954 0.76 AKR1C3 (0.47) ALDH1A1
SCHEMBL21564359 0.76 CPN1 (0.44) CYP3A4CYP2C19GAAMAPTL3MBTL1
SCHEMBL784840 0.76 GAA (0.44) GAAMAPTL3MBTL1THRBATM

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-1910290-A2 GPCR AGONISTS Prosidion Limited (GB) 2008-04-16 EP disclosed
WO-2007003962-A2 GPCR AGONISTS PROSIDION LIMITED (GB) 2007-01-11 WO disclosed