SCHEMBL4726092

SCHEMBL4726092

CCOC(=O)C(=O)C1C(=O)c2ccc(OCc3ccccc3)cc2OC1(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.52
HIF1A Q16665 4/20 0.47
MAOA P21397 2/20 0.46
PPARG P37231 2/20 0.46
KCNE1 P15382 3/20 0.44
KCNQ1 P51787 3/20 0.44
ALDH1A1 P00352 2/20 0.44
NR1H4 Q96RI1 1/20 0.44
NPC1 O15118 1/20 0.44
HPGD P15428 1/20 0.44
NFKB1 P19838 1/20 0.44
GRM5 P41594 1/20 0.44
RAB9A P51151 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
LMNA P02545 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PPARD Q03181 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
SCHEMBL4726095 0.85 PPARG (0.46) MAOBHIF1AMAOAPPARGKCNE1
SCHEMBL4784487 0.84 ALDH1A1 (0.40) MAOBPPARGALDH1A1HPGDSMN1; SMN2
SCHEMBL4727314 0.81 LMNA (0.40) MAOBALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL2171555 0.81 ALDH1A1 (0.45) ALDH1A1NFKB1L3MBTL1
SCHEMBL4726886 0.79 TDP2 (0.41) HIF1AALDH1A1SMN1; SMN2NPSR1LMNA
SCHEMBL4728256 0.79 ALPG (0.41) MAOBALDH1A1NPC1HPGDRAB9A
SCHEMBL9747861 0.79 MAOB (0.62) MAOBHIF1AMAOAKCNE1KCNQ1
SCHEMBL4730667 0.77 CNR2 (0.37) ALDH1A1LMNAL3MBTL1PPARA
SCHEMBL4730195 0.73 ALPG (0.41) MAOBALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL2761859 0.71 MAOB (0.67) MAOBMAOAALDH1A1NPC1HPGD

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