SCHEMBL366899

SCHEMBL366899

CC(C)Oc1ccc(CCOc2cc(OC(=O)N(C)C)cc3c2c(C(=O)O)c2ccccn23)cc1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PLA2G4A P47712 1/20 0.36
S1PR3 Q99500 1/20 0.36
MAPT P10636 2/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
GCK P35557 1/20 0.34
TP53 P04637 2/20 0.33
LMNA P02545 1/20 0.33
ACHE P22303 2/20 0.33
PABPC1 P11940 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
CNR2 P34972 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL365914 0.93 MAPT (0.34) PLA2G4AS1PR3MAPTTP53LMNA
SCHEMBL365188 0.91 CYP11B1 (0.39) LMNAACHECYP11B1CYP11B2ALDH1A1
SCHEMBL366850 0.90 MAPT (0.37) PLA2G4AMAPTTP53LMNAPABPC1
SCHEMBL366611 0.84 ACHE (0.38) MAPTACHEPABPC1CYP11B1CYP11B2
SCHEMBL366750 0.84 PPARG (0.33) MAPTPABPC1CYP11B1CYP11B2CNR2
SCHEMBL365168 0.83 ACHE (0.41) ACHE
SCHEMBL366373 0.82 MAPT (0.37) PLA2G4AMAPTTP53LMNAACHE
SCHEMBL365768 0.81 ALOX5 (0.38) MAPTNPC1RAB9ATP53LMNA
SCHEMBL365005 0.80 CYP11B1 (0.37) MAPTACHECYP11B1CYP11B2KDM4E
SCHEMBL366900 0.80 S1PR3 (0.39) PLA2G4AS1PR3NPC1RAB9AGCK

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-2012007008-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO claimed
WO-2012007008-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO disclosed