SCHEMBL4728535

SCHEMBL4728535

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.40
MAPT P10636 5/20 0.39
ALDH1A1 P00352 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NPSR1 Q6W5P4 2/20 0.36
LMNA P02545 2/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
KCNE1 P15382 3/20 0.35
KCNQ1 P51787 3/20 0.35
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MALT1 Q9UDY8 1/20 0.34
KCNN4 O15554 1/20 0.34
IDO1 P14902 1/20 0.33
TDO2 P48775 1/20 0.33

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 0.88 ALDH1A1 (0.43) CYP11B2MAPTALDH1A1L3MBTL1NPSR1
SCHEMBL4726625 0.86 CYP11B2 (0.40) CYP11B2MAPTALDH1A1L3MBTL1LMNA
SCHEMBL4728259 0.86 CYP11B2 (0.40) CYP11B2MAPTALDH1A1L3MBTL1LMNA
SCHEMBL4726892 0.86 TDP2 (0.46) CYP11B2MAPTALDH1A1L3MBTL1NPSR1
SCHEMBL4784489 0.85 CYP1A1 (0.41) CYP11B2MAPTALDH1A1L3MBTL1KDM4E
SCHEMBL4729580 0.84 CYP11B2 (0.51) CYP11B2MAPTALDH1A1L3MBTL1LMNA
SCHEMBL4728534 0.81 MAPT (0.36) MAPTALDH1A1L3MBTL1NPSR1LMNA
SCHEMBL4726095 0.80 PPARG (0.46) ALDH1A1L3MBTL1NPSR1LMNAMEN1
SCHEMBL4730197 0.79 MAPK1 (0.40) CYP11B2MAPTALDH1A1L3MBTL1LMNA
SCHEMBL4726123 0.79 TDP2 (0.41) CYP11B2MAPTALDH1A1L3MBTL1NPSR1

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 1 patent. 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 disclosed