SCHEMBL6511022

SCHEMBL6511022

Cc1ccc(Cl)c(CN(CCC(=O)O)Cc2cccc(OCC3CCCC3)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 2/20 0.44
FFAR4 Q5NUL3 3/20 0.43
SLC16A3 O15427 2/20 0.41
SLC16A1 P53985 2/20 0.41
MCTS1 Q9ULC4 2/20 0.41
FFAR1 O14842 4/20 0.40
ACACB O00763 1/20 0.39
ACACA Q13085 1/20 0.39
BCL2L1 Q07817 1/20 0.38
MCL1 Q07820 1/20 0.38
PPARD Q03181 2/20 0.38
CETP P11597 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 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
SCHEMBL6533519 0.99 SLC2A1 (0.45) SLC2A1FFAR4SLC16A3SLC16A1MCTS1
SCHEMBL6516543 0.91 FFAR4 (0.49) SLC2A1FFAR4FFAR1ACACBACACA
SCHEMBL6509243 0.90 SLC2A1 (0.48) SLC2A1FFAR4FFAR1ACACBACACA
SCHEMBL6513817 0.87 FFAR4 (0.41) FFAR4SLC16A3SLC16A1MCTS1FFAR1
SCHEMBL6533750 0.85 GAA (0.43) FFAR4FFAR1ALDH1A1
SCHEMBL6510780 0.83 TSHR (0.49) FFAR4FFAR1PPARGPPARA
SCHEMBL6512333 0.83 SLC2A1 (0.45) SLC2A1FFAR4FFAR1ACACBACACA
SCHEMBL6511170 0.81 FFAR1 (0.40) FFAR4FFAR1
SCHEMBL6516293 0.81 NR1H2 (0.42) FFAR4FFAR1
SCHEMBL6512666 0.80 SLC2A1 (0.46) SLC2A1FFAR4FFAR1ACACBACACA

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