SCHEMBL6509306

SCHEMBL6509306

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

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 3/20 0.40
MEP1B Q16820 2/20 0.38
BCHE P06276 3/20 0.36
FFAR1 O14842 1/20 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
SCHEMBL6509514 0.92 NR1H3 (0.40) NR1H3MEP1BBCHEFFAR1
SCHEMBL6518975 0.91 FFAR1 (0.43) NR1H3MEP1BFFAR1
SCHEMBL6515031 0.88 MEP1B (0.43) NR1H3MEP1B
SCHEMBL6509451 0.86 NR1H3 (0.41) NR1H3MEP1BBCHEFFAR1
SCHEMBL6511147 0.85 TSHR (0.47) FFAR1
SCHEMBL6512685 0.84 FFAR1 (0.43) MEP1BBCHEFFAR1
SCHEMBL6531896 0.83 FFAR4 (0.48) FFAR1
SCHEMBL6508932 0.83 FFAR1 (0.42) NR1H3FFAR1
SCHEMBL6531593 0.82 FFAR4 (0.47) FFAR1
SCHEMBL6513365 0.80 ENPP2 (0.39) MEP1BFFAR1

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