SCHEMBL8799008

SCHEMBL8799008

COc1ccc(C(=O)C(=O)c2ccccc2)c(-c2ccccc2)c1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
HSD17B10 Q99714 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ALOX15 P16050 1/20 0.47
MAPK1 P28482 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
CES2 O00748 4/20 0.46
CES1 P23141 4/20 0.46
FABP3 P05413 1/20 0.44
FABP4 P15090 1/20 0.44
FABP5 Q01469 1/20 0.44
LMNA P02545 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
PDE4A P27815 2/20 0.42
PDE4B Q07343 2/20 0.42
PDE4C Q08493 2/20 0.42
PDE4D Q08499 2/20 0.42
ALDH1A1 P00352 2/20 0.42

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
SCHEMBL7273539 0.84 MAPT (0.60) MAPTHSD17B10KDM4EALOX15MAPK1
SCHEMBL27888985 0.84 MAPT (0.51) MAPTHSD17B10KDM4EALOX15MAPK1
SCHEMBL27414108 0.83 MAPT (0.50) MAPTHSD17B10KDM4EALOX15MAPK1
SCHEMBL8799869 0.82 FABP3 (0.56) MAPTHSD17B10ALOX15CES2CES1
SCHEMBL9765827 0.82 MAPT (0.49) MAPTHSD17B10KDM4EALOX15MAPK1
SCHEMBL27870492 0.81 CES2 (0.50) MAPTHSD17B10KDM4EALOX15MAPK1
SCHEMBL28418609 0.79 MAPT (0.46) MAPTHSD17B10KDM4EALOX15MAPK1
SCHEMBL14052472 0.79 SMN1; SMN2 (0.47) MAPTHSD17B10KDM4EALOX15MAPK1
SCHEMBL28184265 0.79 MAPT (0.46) MAPTHSD17B10KDM4EALOX15MAPK1
SCHEMBL870485 0.78 NPC1 (0.52) MAPTKDM4ECES2CES1LMNA

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
EP-0772601-A1 4,5-SUBSTITUTED IMIDAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1997-05-14 EP disclosed