SCHEMBL6509451

SCHEMBL6509451

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

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 3/20 0.41
FFAR1 O14842 2/20 0.38
MEP1B Q16820 1/20 0.38
BCHE P06276 2/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 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
SCHEMBL6511974 0.92 NR1H3 (0.41) NR1H3FFAR1MEP1B
SCHEMBL6511170 0.91 FFAR1 (0.40) NR1H3FFAR1MEP1BBCHE
SCHEMBL6512685 0.89 FFAR1 (0.43) FFAR1MEP1BBCHE
SCHEMBL6509306 0.86 NR1H3 (0.40) NR1H3FFAR1MEP1BBCHE
SCHEMBL6512693 0.85 TSHR (0.49) FFAR1TSHRHSD17B10
SCHEMBL6515073 0.85 PLA2G4B (0.47) NR1H3MEP1B
SCHEMBL6507826 0.82 FOS (0.43) NR1H3FFAR1MEP1B
SCHEMBL6516293 0.82 NR1H2 (0.42) NR1H3FFAR1MEP1B
SCHEMBL6510094 0.82 PPARG (0.39) FFAR1MEP1BBCHE
SCHEMBL6516543 0.81 FFAR4 (0.49) FFAR1

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