SCHEMBL4728256

SCHEMBL4728256

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPG P10696 1/20 0.41
ALDH1A1 P00352 6/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 4/20 0.38
TSHR P16473 3/20 0.38
HTT P42858 2/20 0.38
USP2 O75604 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
LMNA P02545 1/20 0.37
MAOB P27338 1/20 0.36
MAPK1 P28482 1/20 0.35
GAA P10253 3/20 0.35
KMT2A Q03164 1/20 0.35
ABCC9 O60706 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
KDM4E B2RXH2 3/20 0.34
HSD17B10 Q99714 2/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34

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
SCHEMBL4730195 0.91 ALPG (0.41) ALPGALDH1A1TP53MAPTTSHR
SCHEMBL4727314 0.88 LMNA (0.40) ALDH1A1MAPTL3MBTL1LMNAMAOB
SCHEMBL4726886 0.86 TDP2 (0.41) ALDH1A1MAPTTSHRHTTL3MBTL1
SCHEMBL4726624 0.86 ALDH1A1 (0.34) ALDH1A1MAPTL3MBTL1LMNAGAA
SCHEMBL4784487 0.85 ALDH1A1 (0.40) ALDH1A1TP53MAPTUSP2L3MBTL1
SCHEMBL4730667 0.84 CNR2 (0.37) ALDH1A1MAPTL3MBTL1LMNAKMT2A
SCHEMBL2171555 0.83 ALDH1A1 (0.45) ALDH1A1MAPTTSHRL3MBTL1KMT2A
SCHEMBL4728259 0.81 CYP11B2 (0.40) ALPGALDH1A1TP53MAPTTSHR
SCHEMBL4730197 0.79 MAPK1 (0.40) ALPGALDH1A1TP53MAPTTSHR
SCHEMBL4726120 0.79 TDP2 (0.39) ALDH1A1MAPTTSHRHTTL3MBTL1

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