SCHEMBL6512666

SCHEMBL6512666

Cc1ccc(CN(CCC(=O)O)Cc2cccc(OCC3CCCCC3)c2)o1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 2/20 0.46
FFAR4 Q5NUL3 2/20 0.43
ACACB O00763 1/20 0.40
ACACA Q13085 1/20 0.40
PPARG P37231 3/20 0.39
PPARA Q07869 3/20 0.39
CETP P11597 1/20 0.39
FFAR1 O14842 3/20 0.39
PPARD Q03181 2/20 0.39
SIRT2 Q8IXJ6 1/20 0.39
ADAM17 P78536 1/20 0.39

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
SCHEMBL6513425 0.87 FFAR4 (0.42) FFAR4PPARGPPARACETPFFAR1
SCHEMBL6509243 0.86 SLC2A1 (0.48) SLC2A1FFAR4ACACBACACAPPARG
SCHEMBL6512333 0.83 SLC2A1 (0.45) SLC2A1FFAR4ACACBACACAPPARG
SCHEMBL6511186 0.82 HDAC3 (0.46) PPARGPPARA
SCHEMBL6533519 0.81 SLC2A1 (0.45) SLC2A1FFAR4CETPFFAR1PPARD
SCHEMBL6533464 0.80 POLB (0.40) PPARGPPARA
SCHEMBL6511022 0.80 SLC2A1 (0.44) SLC2A1FFAR4ACACBACACAPPARG
SCHEMBL6516543 0.80 FFAR4 (0.49) SLC2A1FFAR4ACACBACACACETP
SCHEMBL6531593 0.80 FFAR4 (0.47) SLC2A1FFAR4ACACBACACACETP
SCHEMBL6531896 0.79 FFAR4 (0.48) SLC2A1FFAR4ACACBACACACETP

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