SCHEMBL3971298

SCHEMBL3971298

COC(=O)c1ccc2c(c1)c(C=CCCOCc1ccccc1)cn2-c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 1/20 0.43
NR4A2 P43354 1/20 0.42
CNR2 P34972 1/20 0.39
SCN2B O60939 1/20 0.38
SCN1A P35498 1/20 0.38
SCN1B Q07699 1/20 0.38
SCN5A Q14524 1/20 0.38
SCN9A Q15858 1/20 0.38
HPGD P15428 3/20 0.37
KDM4E B2RXH2 2/20 0.37
PLA2G4A P47712 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
LMNA P02545 1/20 0.37
TLR8 Q9NR97 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
PKM P14618 2/20 0.37
GAA P10253 1/20 0.37
GLA P06280 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
SCHEMBL3971294 1.00 FGFR1 (0.43) FGFR1NR4A2CNR2SCN2BSCN1A
SCHEMBL13883737 0.83 FGFR1 (0.44) FGFR1NR4A2CNR2SCN2BSCN1A
SCHEMBL8450255 0.79 HPGD (0.49) HPGDKDM4ESMN1; SMN2LMNAALDH1A1
SCHEMBL3972983 0.78 FGFR1 (0.54) FGFR1NR4A2SCN2BSCN1ASCN1B
SCHEMBL3973576 0.77 MAPT (0.50) FGFR1NR4A2SCN2BSCN1ASCN1B
SCHEMBL13883742 0.77 MAPT (0.50) FGFR1NR4A2SCN2BSCN1ASCN1B
SCHEMBL13883887 0.76 MAPK8 (0.41) FGFR1NR4A2KDM4ELMNAALDH1A1
SCHEMBL3975938 0.76 MAPK8 (0.41) FGFR1NR4A2KDM4ELMNAALDH1A1
SCHEMBL8733640 0.75 MAOB (0.47) HPGDLMNAALDH1A1MAPTPKM
SCHEMBL3974115 0.71 NR4A2 (0.63) FGFR1NR4A2SCN2BSCN1ASCN1B

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