SCHEMBL5990725

SCHEMBL5990725

COc1ccc(OC(F)(F)F)cc1C(=O)c1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.61
HTT P42858 4/20 0.61
NPSR1 Q6W5P4 2/20 0.61
ALDH1A1 P00352 4/20 0.59
POLB P06746 1/20 0.55
MAPK1 P28482 3/20 0.51
KDM4E B2RXH2 2/20 0.51
HSD17B10 Q99714 2/20 0.51
ALOX15 P16050 1/20 0.51
LMNA P02545 5/20 0.50
HPGD P15428 4/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2D6 P10635 2/20 0.50
CYP2C19 P33261 2/20 0.50
PGR P06401 1/20 0.50
SLC6A2 P23975 1/20 0.50
PDE4A P27815 1/20 0.50
HRH1 P35367 1/20 0.50
SLC6A3 Q01959 1/20 0.50
PDE4D Q08499 1/20 0.50

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
SCHEMBL4222291 0.85 MAPT (0.84) MAPTHTTNPSR1ALDH1A1POLB
SCHEMBL987280 0.84 KDM4E (0.51) MAPTHTTNPSR1ALDH1A1POLB
SCHEMBL1534137 0.83 MAPT (0.53) MAPTHTTNPSR1POLBHSD17B10
SCHEMBL2824553 0.81 MAPT (0.57) MAPTHTTALDH1A1POLBMAPK1
SCHEMBL5991273 0.81 LMNA (0.50) MAPTHTTALDH1A1POLBMAPK1
SCHEMBL6203343 0.81 MAPT (0.49) MAPTHTTNPSR1ALDH1A1POLB
SCHEMBL5342361 0.80 MAPT (0.54) MAPTHTTNPSR1ALDH1A1POLB
SCHEMBL5114309 0.80 ALPL (0.49) MAPTHTTNPSR1ALDH1A1LMNA
SCHEMBL2580242 0.80 MAPT (0.47) MAPTHTTNPSR1ALDH1A1POLB
SCHEMBL5989380 0.80 PPARG (0.55) MAPTHTTNPSR1MAPK1TSHR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060257987-A1 Ppar modulators ELI LILLY AND COMPANY 2006-11-16 US disclosed
EP-1660428-A1 PPAR MODULATORS ELI LILLY AND COMPANY (US) 2006-05-31 EP disclosed
WO-2005019151-A1 PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-03-03 WO disclosed