SCHEMBL18156495

SCHEMBL18156495

CCC(=O)Oc1cccc(C(F)(F)F)c1COc1cc(I)c(CC)cc1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 2/20 0.39
FFAR1 O14842 1/20 0.39
MRGPRX4 Q96LA9 6/20 0.36
PTGER1 P34995 1/20 0.36
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
PPARD Q03181 3/20 0.35
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 1/20 0.34
KCNK3 O14649 1/20 0.34
KCNK9 Q9NPC2 1/20 0.34
KDM4E B2RXH2 2/20 0.33
HPGD P15428 2/20 0.33
HSD17B10 Q99714 2/20 0.33
ALDH1A1 P00352 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ACHE P22303 1/20 0.33

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
SCHEMBL18156401 0.91 FFAR4 (0.39) FFAR4FFAR1MRGPRX4PTGER1NR1H2
SCHEMBL18182270 0.91 NR1H2 (0.41) FFAR4FFAR1MRGPRX4PTGER1NR1H2
SCHEMBL18156437 0.89 FFAR1 (0.39) FFAR4FFAR1MRGPRX4PTGER1NR1H2
SCHEMBL18532847 0.88 MRGPRX4 (0.42) FFAR4FFAR1MRGPRX4NR1H2NR1H3
SCHEMBL18156132 0.87 ACHE (0.36) FFAR4MRGPRX4PPARDPPARGPPARA
SCHEMBL18156130 0.85 MRGPRX4 (0.36) FFAR4FFAR1MRGPRX4PTGER1PPARG
SCHEMBL18156127 0.84 MAOB (0.38) MRGPRX4KCNK3KCNK9HPGD
SCHEMBL18183079 0.84 FFAR1 (0.39) FFAR4FFAR1MRGPRX4PTGER1NR1H2
SCHEMBL18182804 0.84 FFAR1 (0.39) FFAR4FFAR1MRGPRX4PTGER1NR1H2
SCHEMBL18183078 0.84 FFAR1 (0.37) FFAR4FFAR1MRGPRX4PTGER1NR1H2

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
EP-3081559-A1 AROMATIC COMPOUND AND APPLICATION FOR SAME Sumitomo Chemical Company, Limited (JP) 2016-10-19 EP disclosed