SCHEMBL6512693

SCHEMBL6512693

Cc1ccc(F)c(CN(CCC(=O)O)Cc2cccc(Oc3ccccc3)c2)c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.49
HSD17B10 Q99714 1/20 0.49
FFAR1 O14842 8/20 0.47
PTGES O14684 1/20 0.47
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
DAGLA Q9Y4D2 2/20 0.43
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
NR3C1 P04150 1/20 0.42
CETP P11597 1/20 0.42
RAB9A P51151 1/20 0.41
P2RX3 P56373 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
SCHEMBL6510780 0.89 TSHR (0.49) TSHRHSD17B10FFAR1PTGESFFAR4
SCHEMBL6515065 0.89 TSHR (0.55) TSHRHSD17B10FFAR1PTGESFFAR4
SCHEMBL6511151 0.87 RAB9A (0.43) FFAR1FFAR4PTGER3PPARGRAB9A
SCHEMBL6511831 0.86 FFAR1 (0.57) TSHRHSD17B10FFAR1PTGESFFAR4
SCHEMBL6515073 0.85 PLA2G4B (0.47) PPARGPPARA
SCHEMBL6509451 0.85 NR1H3 (0.41) TSHRHSD17B10FFAR1
SCHEMBL6513753 0.85 ENPP2 (0.40) FFAR1PTGESFFAR4CETP
SCHEMBL6511974 0.84 NR1H3 (0.41) FFAR1PTGES
SCHEMBL6511147 0.84 TSHR (0.47) TSHRHSD17B10FFAR1PTGESFFAR4
SCHEMBL6519131 0.84 NR3C1 (0.55) TSHRHSD17B10FFAR1PTGESFFAR4

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