SCHEMBL3972129

SCHEMBL3972129

COC(=O)c1ccc2c(c1)c(CCOCC(=O)O)cn2-c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PLA2G4A P47712 15/20 0.53
MTNR1A P48039 1/20 0.51
MTNR1B P49286 1/20 0.51
FGFR1 P11362 1/20 0.47
NR4A2 P43354 1/20 0.46
HTR6 P50406 1/20 0.45

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
SCHEMBL3968241 0.88 MTNR1A (0.46) PLA2G4AMTNR1AMTNR1BFGFR1NR4A2
SCHEMBL3970720 0.87 PLA2G4A (0.61) PLA2G4AMTNR1AMTNR1B
SCHEMBL3967405 0.85 MTNR1A (0.55) PLA2G4AMTNR1AMTNR1BFGFR1NR4A2
SCHEMBL3969149 0.84 MTNR1A (0.54) PLA2G4AMTNR1AMTNR1BFGFR1NR4A2
SCHEMBL3974621 0.84 MAPK8 (0.46) PLA2G4AMTNR1AMTNR1BFGFR1
Hydrochloric Acid SCHEMBL3969364 0.84 MTNR1A (0.53) PLA2G4AMTNR1AMTNR1BFGFR1NR4A2
SCHEMBL13883856 0.83 MTNR1A (0.53) PLA2G4AMTNR1AMTNR1BFGFR1NR4A2
SCHEMBL3972972 0.82 MTNR1A (0.52) PLA2G4AMTNR1AMTNR1BFGFR1NR4A2
SCHEMBL3970192 0.81 MTNR1A (0.51) PLA2G4AMTNR1AMTNR1BFGFR1NR4A2
SCHEMBL3975921 0.80 MTNR1A (0.48) PLA2G4AMTNR1AMTNR1BFGFR1NR4A2

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-2009047240-A1 INDOLE DERIVATIVES USEFUL AS PPAR ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2009-04-16 WO disclosed
WO-2009047240-A1 INDOLE DERIVATIVES USEFUL AS PPAR ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2009-04-16 WO disclosed