SCHEMBL6533389

SCHEMBL6533389

Cc1csc(CN(CCC(=O)O)Cc2cccc(OC3CCCC3)c2)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
FFAR4 Q5NUL3 2/20 0.39
FFAR1 O14842 2/20 0.39
MEP1B Q16820 1/20 0.39
SLC6A9 P48067 1/20 0.38
ENPP2 Q13822 1/20 0.37
PPARG P37231 4/20 0.37
PPARA Q07869 4/20 0.37
CETP P11597 2/20 0.37
HRH1 P35367 1/20 0.37
CALM1 P0DP23 1/20 0.36
CAMKK2 Q96RR4 1/20 0.36
RORC P51449 1/20 0.36
PTGES O14684 1/20 0.36
HDAC4 P56524 1/20 0.36
MEF2D Q14814 1/20 0.36
KAT6A Q92794 1/20 0.36

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
SCHEMBL6508828 0.87 MAPT (0.43) MAPTMAPK1FFAR4MEP1BSLC6A9
SCHEMBL6512333 0.87 SLC2A1 (0.45) FFAR4FFAR1PPARGPPARACETP
SCHEMBL6511901 0.84 TSHR (0.49) FFAR4FFAR1PPARGPPARAPTGES
SCHEMBL6511522 0.83 GAA (0.40) FFAR1MEP1B
SCHEMBL6513425 0.82 FFAR4 (0.42) MAPTMAPK1FFAR4FFAR1MEP1B
SCHEMBL6513817 0.82 FFAR4 (0.41) MAPTMAPK1FFAR4FFAR1MEP1B
SCHEMBL6513753 0.82 ENPP2 (0.40) MAPTMAPK1FFAR4FFAR1MEP1B
SCHEMBL6509317 0.81 CETP (0.47) FFAR4FFAR1MEP1BCETPCALM1
SCHEMBL6510094 0.79 PPARG (0.39) FFAR1MEP1BPPARGPPARAPTGES
SCHEMBL6512010 0.78 LTB4R (0.42) MAPTFFAR1MEP1B

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