SCHEMBL6511901

SCHEMBL6511901

Cc1csc(CN(CCC(=O)O)Cc2cccc(Oc3ccccc3)c2)c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.49
HSD17B10 Q99714 1/20 0.49
PTGES O14684 1/20 0.47
FFAR1 O14842 8/20 0.45
PPARG P37231 3/20 0.44
PPARA Q07869 3/20 0.44
FFAR4 Q5NUL3 3/20 0.44
GNA15 P30679 1/20 0.44
PTGER3 P43115 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
EPOR P19235 1/20 0.44
NR3C1 P04150 2/20 0.42
DAGLA Q9Y4D2 1/20 0.41

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
SCHEMBL6509317 0.86 CETP (0.47) FFAR1FFAR4NR3C1
SCHEMBL6515065 0.86 TSHR (0.55) TSHRHSD17B10PTGESFFAR1PPARG
SCHEMBL6511994 0.86 TSHR (0.50) TSHRHSD17B10PTGESFFAR1PPARG
SCHEMBL6512010 0.85 LTB4R (0.42) TSHRFFAR1
SCHEMBL6510094 0.84 PPARG (0.39) PTGESFFAR1PPARGPPARA
SCHEMBL6533389 0.84 MAPT (0.41) PTGESFFAR1PPARGPPARAFFAR4
SCHEMBL6508460 0.83 HTR2C (0.36) TSHRFFAR1
SCHEMBL6510769 0.83 PTGES (0.38) PTGESFFAR1PPARGPPARA
SCHEMBL6512333 0.82 SLC2A1 (0.45) FFAR1PPARGPPARAFFAR4
SCHEMBL6511831 0.82 FFAR1 (0.57) TSHRHSD17B10PTGESFFAR1PPARG

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