SCHEMBL6512333

SCHEMBL6512333

Cc1csc(CN(CCC(=O)O)Cc2cccc(OCC3CCCC3)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 2/20 0.45
FFAR4 Q5NUL3 2/20 0.44
ACACB O00763 1/20 0.41
ACACA Q13085 1/20 0.41
PPARG P37231 3/20 0.39
PPARA Q07869 3/20 0.39
ADAM17 P78536 1/20 0.39
FFAR1 O14842 3/20 0.38
PPARD Q03181 2/20 0.38
CETP P11597 1/20 0.38
KDM5A P29375 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
SIRT2 Q8IXJ6 1/20 0.38

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
SCHEMBL6509243 0.88 SLC2A1 (0.48) SLC2A1FFAR4ACACBACACAPPARG
SCHEMBL6533389 0.87 MAPT (0.41) FFAR4PPARGPPARAFFAR1CETP
SCHEMBL6511522 0.85 GAA (0.40) FFAR1
SCHEMBL6516543 0.83 FFAR4 (0.49) SLC2A1FFAR4ACACBACACAFFAR1
SCHEMBL6512666 0.83 SLC2A1 (0.46) SLC2A1FFAR4ACACBACACAPPARG
SCHEMBL6511022 0.83 SLC2A1 (0.44) SLC2A1FFAR4ACACBACACAPPARG
SCHEMBL6511901 0.82 TSHR (0.49) FFAR4PPARGPPARAFFAR1
SCHEMBL6533519 0.82 SLC2A1 (0.45) SLC2A1FFAR4ADAM17FFAR1PPARD
SCHEMBL6510094 0.81 PPARG (0.39) PPARGPPARAFFAR1
SCHEMBL6510769 0.80 PTGES (0.38) PPARGPPARAFFAR1

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