SCHEMBL6511974

SCHEMBL6511974

CCC(C)COc1cccc(CN(CCC(=O)O)Cc2cc(C)ccc2F)c1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 4/20 0.41
NR1H2 P55055 1/20 0.41
FFAR1 O14842 3/20 0.40
GPR88 Q9GZN0 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
PTGES O14684 2/20 0.38
MEP1B Q16820 1/20 0.37
GRM2 Q14416 1/20 0.37

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
SCHEMBL6509451 0.92 NR1H3 (0.41) NR1H3FFAR1MEP1B
SCHEMBL6516293 0.91 NR1H2 (0.42) NR1H3NR1H2FFAR1MEN1KMT2A
SCHEMBL6511846 0.89 FFAR1 (0.44) FFAR1MEN1KMT2APTGESMEP1B
SCHEMBL6509514 0.86 NR1H3 (0.40) NR1H3NR1H2FFAR1GPR88PTGES
SCHEMBL6512310 0.84 PTGES (0.43) NR1H3NR1H2FFAR1PTGESMEP1B
SCHEMBL6512693 0.84 TSHR (0.49) FFAR1PTGES
SCHEMBL6515073 0.84 PLA2G4B (0.47) NR1H3MEP1B
SCHEMBL6507826 0.84 FOS (0.43) NR1H3NR1H2FFAR1PTGESMEP1B
SCHEMBL6510769 0.82 PTGES (0.38) FFAR1GPR88MEN1KMT2APTGES
SCHEMBL6511170 0.82 FFAR1 (0.40) NR1H3NR1H2FFAR1MEP1B

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