SCHEMBL6511147

SCHEMBL6511147

Cc1ccc(F)c(CN(CCC(=O)O)Cc2cccc(Oc3ccccc3)c2)c1F

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.47
HSD17B10 Q99714 1/20 0.47
PTGES O14684 1/20 0.45
FFAR1 O14842 6/20 0.44
FFAR4 Q5NUL3 3/20 0.44
GNA15 P30679 1/20 0.42
PTGER3 P43115 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
DAGLA Q9Y4D2 2/20 0.41
NR3C1 P04150 2/20 0.41
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
P2RX3 P56373 2/20 0.40
CETP P11597 1/20 0.40
EPOR P19235 1/20 0.40

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
SCHEMBL6512680 0.91 FFAR1 (0.44) FFAR1FFAR4NR3C1
SCHEMBL6518975 0.87 FFAR1 (0.43) PTGESFFAR1
SCHEMBL6515031 0.86 MEP1B (0.43)
SCHEMBL6509306 0.85 NR1H3 (0.40) FFAR1
SCHEMBL6509514 0.85 NR1H3 (0.40) PTGESFFAR1
SCHEMBL6512693 0.84 TSHR (0.49) TSHRHSD17B10PTGESFFAR1FFAR4
SCHEMBL6513365 0.84 ENPP2 (0.39) FFAR1FFAR4PPARGPPARACETP
SCHEMBL6511749 0.84 HTT (0.38) FFAR1FFAR4
SCHEMBL6531896 0.83 FFAR4 (0.48) FFAR1FFAR4CETP
SCHEMBL6515051 0.83 MEP1B (0.40) PPARG

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