SCHEMBL6509514

SCHEMBL6509514

CCC(C)COc1cccc(CN(CCC(=O)O)Cc2c(F)ccc(C)c2F)c1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 4/20 0.40
NR1H2 P55055 1/20 0.39
GPR88 Q9GZN0 3/20 0.38
PTGES O14684 1/20 0.37
MEP1B Q16820 1/20 0.36
FFAR1 O14842 2/20 0.36
PPARD Q03181 1/20 0.36
GRM2 Q14416 1/20 0.36
BCHE P06276 2/20 0.36

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
SCHEMBL6509306 0.92 NR1H3 (0.40) NR1H3MEP1BFFAR1BCHE
SCHEMBL6518975 0.92 FFAR1 (0.43) NR1H3PTGESMEP1BFFAR1PPARD
SCHEMBL6515031 0.87 MEP1B (0.43) NR1H3MEP1B
SCHEMBL6511974 0.86 NR1H3 (0.41) NR1H3NR1H2GPR88PTGESMEP1B
SCHEMBL6511147 0.85 TSHR (0.47) PTGESFFAR1
SCHEMBL6511846 0.85 FFAR1 (0.44) PTGESMEP1BFFAR1BCHE
SCHEMBL6508932 0.84 FFAR1 (0.42) NR1H3NR1H2PTGESFFAR1PPARD
SCHEMBL6512310 0.83 PTGES (0.43) NR1H3NR1H2PTGESMEP1BFFAR1
SCHEMBL6531896 0.82 FFAR4 (0.48) FFAR1PPARD
SCHEMBL6531593 0.81 FFAR4 (0.47) FFAR1PPARD

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