SCHEMBL6513753

SCHEMBL6513753

Cc1ccc(F)c(CN(CCC(=O)O)Cc2cccc(OC3CCCC3)c2)c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
FFAR1 O14842 4/20 0.39
KAT6A Q92794 1/20 0.39
FFAR4 Q5NUL3 4/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
CETP P11597 2/20 0.38
HRH1 P35367 1/20 0.38
MEP1B Q16820 1/20 0.38
PTGES O14684 1/20 0.38
SLC6A9 P48067 1/20 0.38
DRD4 P21917 1/20 0.37
ADRA1D P25100 1/20 0.37
DRD3 P35462 1/20 0.37
HDAC4 P56524 1/20 0.37
MEF2D Q14814 1/20 0.37
EPHX2 P34913 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
SCHEMBL6513817 0.91 FFAR4 (0.41) ENPP2MAPTMAPK1FFAR1FFAR4
SCHEMBL6508828 0.88 MAPT (0.43) ENPP2MAPTMAPK1FFAR4CETP
SCHEMBL6516543 0.87 FFAR4 (0.49) FFAR1KAT6AFFAR4CETP
SCHEMBL6512693 0.85 TSHR (0.49) FFAR1FFAR4CETPPTGES
SCHEMBL6513365 0.84 ENPP2 (0.39) ENPP2MAPTMAPK1FFAR1KAT6A
SCHEMBL6515075 0.83 GAA (0.41)
SCHEMBL6533389 0.82 MAPT (0.41) ENPP2MAPTMAPK1FFAR1KAT6A
SCHEMBL6532728 0.81 ATM (0.39) FFAR4PTGS1PTGS2MEP1B
SCHEMBL6531269 0.79 FFAR4 (0.38) ENPP2MAPTMAPK1FFAR1FFAR4
SCHEMBL6513425 0.79 FFAR4 (0.42) ENPP2MAPTMAPK1FFAR1FFAR4

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-2005097100-A2 ANTIBACTERIAL AGENTS PROLYSIS LTD. (GB) 2005-10-20 WO disclosed