SCHEMBL4784489

SCHEMBL4784489

CCOC(=O)C(=O)C1c2cc(OC)ccc2C(=O)OC1(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 1/20 0.41
PPARG P37231 5/20 0.40
CYP11B2 P19099 1/20 0.39
ALDH1A1 P00352 4/20 0.39
MALT1 Q9UDY8 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MAPT P10636 1/20 0.39
ATM Q13315 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TSHR P16473 1/20 0.38
BRD4 O60885 1/20 0.37
NQO1 P15559 1/20 0.37
POR P16435 1/20 0.37
ALOX15 P16050 1/20 0.37
MAOB P27338 2/20 0.37
KDM4E B2RXH2 1/20 0.37
CA12 O43570 1/20 0.37
CA2 P00918 1/20 0.37
GLA P06280 1/20 0.37
CA3 P07451 1/20 0.37

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
SCHEMBL4727318 0.87 ALDH1A1 (0.43) CYP11B2ALDH1A1L3MBTL1MAPTTSHR
SCHEMBL4726095 0.85 PPARG (0.46) PPARGALDH1A1L3MBTL1MAOBHPGD
SCHEMBL4726892 0.85 TDP2 (0.46) CYP11B2ALDH1A1L3MBTL1MAPTTSHR
SCHEMBL4728259 0.85 CYP11B2 (0.40) CYP11B2ALDH1A1L3MBTL1MAPTTDP1
SCHEMBL4726625 0.85 CYP11B2 (0.40) CYP11B2ALDH1A1L3MBTL1MAPTKDM4E
SCHEMBL4729580 0.83 CYP11B2 (0.51) CYP11B2ALDH1A1L3MBTL1MAPTKDM4E
SCHEMBL4784487 0.82 ALDH1A1 (0.40) PPARGALDH1A1MALT1L3MBTL1MAPT
SCHEMBL4726123 0.78 TDP2 (0.41) CYP11B2ALDH1A1L3MBTL1MAPTTSHR
SCHEMBL4730197 0.78 MAPK1 (0.40) CYP11B2ALDH1A1L3MBTL1MAPTTDP1
SCHEMBL4729677 0.76 CYP1A1 (0.41) CYP1A1PPARGALDH1A1L3MBTL1MAPT

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