SCHEMBL6533519

SCHEMBL6533519

Cc1ccc(Cl)c(CN(CCC(=O)O)Cc2cccc(OCC3CCCCC3)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.45
FFAR4 Q5NUL3 2/20 0.43
SLC16A3 O15427 2/20 0.40
SLC16A1 P53985 2/20 0.40
MCTS1 Q9ULC4 2/20 0.40
BCL2L1 Q07817 1/20 0.39
MCL1 Q07820 1/20 0.39
FFAR1 O14842 3/20 0.39
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
CETP P11597 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PPARD Q03181 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.38
ADAM17 P78536 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
SCHEMBL6511022 0.99 SLC2A1 (0.44) SLC2A1FFAR4SLC16A3SLC16A1MCTS1
SCHEMBL6516543 0.90 FFAR4 (0.49) SLC2A1FFAR4FFAR1CETPPPARD
SCHEMBL6509243 0.89 SLC2A1 (0.48) SLC2A1FFAR4FFAR1CETPMEN1
SCHEMBL6513817 0.86 FFAR4 (0.41) FFAR4SLC16A3SLC16A1MCTS1FFAR1
SCHEMBL6533750 0.86 GAA (0.43) FFAR4FFAR1MEN1KMT2A
SCHEMBL6510780 0.83 TSHR (0.49) FFAR4FFAR1
SCHEMBL6512333 0.82 SLC2A1 (0.45) SLC2A1FFAR4FFAR1CETPPPARD
SCHEMBL6512666 0.81 SLC2A1 (0.46) SLC2A1FFAR4FFAR1CETPPPARD
SCHEMBL6511170 0.81 FFAR1 (0.40) FFAR4FFAR1THRATHRB
SCHEMBL6516293 0.80 NR1H2 (0.42) FFAR4FFAR1MEN1KMT2A

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