SCHEMBL12201710

SCHEMBL12201710

CCOC(=O)/C=C/c1cc(OC)ccc1[C@@H](C)OCC1CO1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.41
MGLL Q99685 1/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
LMNA P02545 4/20 0.38
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 3/20 0.38
HPGD P15428 3/20 0.38
GAA P10253 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
MAOB P27338 1/20 0.38
ATM Q13315 1/20 0.38
JUN P05412 1/20 0.38
NFKB1 P19838 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
HSD17B1 P14061 1/20 0.37
CYP2C19 P33261 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
SCHEMBL17226936 1.00 L3MBTL1 (0.41) L3MBTL1MGLLPPARGPPARALMNA
SCHEMBL12202398 0.94 MGLL (0.40) L3MBTL1MGLLPPARGPPARALMNA
SCHEMBL12203684 0.94 MGLL (0.40) L3MBTL1MGLLPPARGPPARALMNA
SCHEMBL2476675 0.88 MGLL (0.41) L3MBTL1MGLLLMNAMAOBCYP3A4
SCHEMBL10151369 0.88 MGLL (0.41) L3MBTL1MGLLLMNAMAOBCYP3A4
SCHEMBL10151059 0.87 MGLL (0.41) MGLLLMNAALDH1A1GAAMAOB
SCHEMBL2477015 0.87 MGLL (0.41) MGLLLMNAALDH1A1GAAMAOB
SCHEMBL6742294 0.87 MGLL (0.41) MGLLLMNAALDH1A1KDM4EHPGD
SCHEMBL13263786 0.87 MGLL (0.41) MGLLLMNAALDH1A1KDM4EHPGD
SCHEMBL2481304 0.86 MGLL (0.40) MGLLALDH1A1MAOBCYP3A4ESR1

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
EP-2374794-A1 CYCLIC AMINE COMPOUNDS Daiichi Sankyo Company, Limited (JP) 2011-10-12 EP disclosed