SCHEMBL6508828

SCHEMBL6508828

Cc1cccc(CN(CCC(=O)O)Cc2cccc(OC3CCCCC3)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
ACSL1 P33121 5/20 0.43
NPC1 O15118 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
OPRK1 P41145 1/20 0.42
KCNH2 Q12809 1/20 0.42
MEP1B Q16820 1/20 0.41
GHSR Q92847 1/20 0.41
CETP P11597 1/20 0.41
SLC6A9 P48067 1/20 0.41
HDAC4 P56524 1/20 0.41
MEF2D Q14814 1/20 0.41
FFAR4 Q5NUL3 1/20 0.40
ENPP2 Q13822 1/20 0.40

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 0.88 FFAR4 (0.41) MAPTMAPK1KCNH2MEP1BCETP
SCHEMBL6513753 0.88 ENPP2 (0.40) MAPTMAPK1MEP1BCETPSLC6A9
SCHEMBL6533389 0.87 MAPT (0.41) MAPTMAPK1MEP1BCETPSLC6A9
SCHEMBL6513425 0.86 FFAR4 (0.42) MAPTMAPK1OPRM1OPRD1OPRK1
SCHEMBL6509243 0.84 SLC2A1 (0.48) NPC1MEN1KMT2ACETPFFAR4
SCHEMBL6513365 0.84 ENPP2 (0.39) MAPTMAPK1MEP1BCETPSLC6A9
SCHEMBL6531269 0.82 FFAR4 (0.38) MAPTMAPK1MEP1BCETPSLC6A9
SCHEMBL6518913 0.81 NPC1 (0.50) NPC1
SCHEMBL6515065 0.81 TSHR (0.55) FFAR4
SCHEMBL6515378 0.80 FFAR1 (0.52) MEP1BFFAR4

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