SCHEMBL4727314

SCHEMBL4727314

CCOC(=O)C(=O)C1C(=O)c2ccc(C)cc2OC1(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.40
KDM4E B2RXH2 3/20 0.40
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 2/20 0.36
ALDH1A1 P00352 4/20 0.36
MAPT P10636 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
CYP19A1 P11511 1/20 0.34
HPGD P15428 1/20 0.33
CASP1 P29466 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTR2C P28335 1/20 0.33
MAOB P27338 1/20 0.32
IDO1 P14902 1/20 0.32
TDO2 P48775 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
SCHEMBL4726886 0.88 TDP2 (0.41) LMNAKDM4EKMT2AMEN1GAA
SCHEMBL4726624 0.88 ALDH1A1 (0.34) LMNAKDM4EKMT2AMEN1GAA
SCHEMBL4728534 0.88 MAPT (0.36) LMNAKDM4EKMT2AMEN1GAA
SCHEMBL4728256 0.88 ALPG (0.41) LMNAKDM4EKMT2AGAAALDH1A1
SCHEMBL4784487 0.87 ALDH1A1 (0.40) KDM4EKMT2AMEN1GAAALDH1A1
SCHEMBL4730667 0.86 CNR2 (0.37) LMNAKDM4EKMT2AMEN1ALDH1A1
SCHEMBL2171555 0.85 ALDH1A1 (0.45) KDM4EKMT2AMEN1ALDH1A1MAPT
SCHEMBL4730195 0.81 ALPG (0.41) LMNAKDM4EKMT2AGAAALDH1A1
SCHEMBL4726120 0.81 TDP2 (0.39) LMNAKDM4EKMT2AMEN1GAA
SCHEMBL4726092 0.81 MAOB (0.52) LMNAALDH1A1L3MBTL1SMN1; SMN2HPGD

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
WO-2008035356-A2 NOVEL CANNABINOID RECEPTOR LIGANDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND PROCESS FOR THEIR PREPARATION GLENMARK PHARMACEUTICALS LIMITED (IN) 2008-03-27 WO claimed
WO-2008035356-A2 NOVEL CANNABINOID RECEPTOR LIGANDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND PROCESS FOR THEIR PREPARATION GLENMARK PHARMACEUTICALS LIMITED (IN) 2008-03-27 WO disclosed