SCHEMBL2364548

SCHEMBL2364548

COc1ccccc1CC(=O)Nc1ccccc1C(F)(F)F

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.69
TSHR P16473 2/20 0.66
LMNA P02545 3/20 0.65
SMN1; SMN2 Q16637 3/20 0.64
HPGD P15428 1/20 0.64
ATM Q13315 1/20 0.60
GAA P10253 3/20 0.59
GFER P55789 1/20 0.59
RXFP1 Q9HBX9 1/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
KDM4E B2RXH2 1/20 0.57
ALDH1A1 P00352 1/20 0.57
HSD17B10 Q99714 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.56

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
SCHEMBL6496067 0.80 KCNJ5 (0.66) MAPTTSHRLMNASMN1; SMN2HPGD
SCHEMBL8639229 0.80 MAPT (0.71) MAPTTSHRLMNASMN1; SMN2ATM
SCHEMBL10340210 0.80 MAPT (0.71) MAPTTSHRLMNASMN1; SMN2GAA
SCHEMBL10340271 0.80 KDM4E (0.77) MAPTTSHRLMNASMN1; SMN2HPGD
SCHEMBL22340613 0.78 RXFP1 (0.60) MAPTTSHRLMNASMN1; SMN2HPGD
SCHEMBL5142574 0.77 POLB (0.76) SMN1; SMN2HPGDGAAMEN1KMT2A
SCHEMBL8049389 0.77 MEN1 (0.76) MAPTTSHRSMN1; SMN2GAAMEN1
SCHEMBL11620710 0.77 POLB (0.73) LMNASMN1; SMN2HPGDATMGAA
SCHEMBL31393812 0.77 MEN1 (0.76) MAPTTSHRSMN1; SMN2GAAMEN1
SCHEMBL4778269 0.76 POLB (0.65) LMNASMN1; SMN2HPGDGAAMEN1

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-2011092284-A1 NOVEL AMINO ACID DERIVATIVES AND THEIR USE AS GPR43 RECEPTOR MODULATORS EUROSCREEN S.A. (BE) 2011-08-04 WO claimed