SCHEMBL6509243

SCHEMBL6509243

Cc1cccc(CN(CCC(=O)O)Cc2cccc(OCC3CCCC3)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 2/20 0.48
FFAR4 Q5NUL3 2/20 0.48
NPC1 O15118 1/20 0.44
LMNA P02545 2/20 0.44
ALDH1A1 P00352 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ACACB O00763 1/20 0.42
ACACA Q13085 1/20 0.42
FFAR1 O14842 3/20 0.41
PPARD Q03181 1/20 0.41
KDM5A P29375 1/20 0.41
KDM4C Q9H3R0 1/20 0.41
CETP P11597 1/20 0.41
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41

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
SCHEMBL6516543 0.90 FFAR4 (0.49) SLC2A1FFAR4ACACBACACAFFAR1
SCHEMBL6511022 0.90 SLC2A1 (0.44) SLC2A1FFAR4LMNAALDH1A1ACACB
SCHEMBL6533519 0.89 SLC2A1 (0.45) SLC2A1FFAR4MEN1KMT2AFFAR1
SCHEMBL6512333 0.88 SLC2A1 (0.45) SLC2A1FFAR4ACACBACACAFFAR1
SCHEMBL6512666 0.86 SLC2A1 (0.46) SLC2A1FFAR4ACACBACACAFFAR1
SCHEMBL6508828 0.84 MAPT (0.43) FFAR4NPC1MEN1KMT2ACETP
SCHEMBL6531896 0.84 FFAR4 (0.48) SLC2A1FFAR4ACACBACACAFFAR1
SCHEMBL6531593 0.83 FFAR4 (0.47) SLC2A1FFAR4ACACBACACAFFAR1
SCHEMBL6518913 0.83 NPC1 (0.50) NPC1ALDH1A1
SCHEMBL6515110 0.81 HPGD (0.47) ALDH1A1MEN1KMT2AFFAR1PPARG

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