SCHEMBL18156401

SCHEMBL18156401

CCc1cc(C)c(OCc2c(OC(C)=O)cccc2C(F)(F)F)cc1I

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 7/20 0.37
PTGER1 P34995 1/20 0.37
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
PTPN1 P18031 1/20 0.36
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
SLC22A12 Q96S37 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
PPARD Q03181 2/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
PDE10A Q9Y233 1/20 0.33
MEN1 O00255 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
SCHEMBL18156495 0.91 FFAR4 (0.39) FFAR4FFAR1MRGPRX4PTGER1NR1H2
SCHEMBL18182889 0.90 NR1H2 (0.42) FFAR4FFAR1MRGPRX4PTGER1NR1H2
SCHEMBL18183121 0.83 FFAR4 (0.50) FFAR4FFAR1MRGPRX4RXRARXRB
SCHEMBL18182071 0.81 NR1H2 (0.40) FFAR4FFAR1MRGPRX4PTGER1NR1H2
SCHEMBL18182270 0.81 NR1H2 (0.41) FFAR4FFAR1MRGPRX4PTGER1NR1H2
SCHEMBL18182662 0.80 PTPN1 (0.40) MRGPRX4PTPN1SLC22A12PPARGPPARA
SCHEMBL18182409 0.80 NR1H2 (0.41) FFAR4FFAR1MRGPRX4NR1H2NR1H3
SCHEMBL18182881 0.80 NR1H2 (0.41) FFAR4FFAR1MRGPRX4PTGER1NR1H2
SCHEMBL18156437 0.79 FFAR1 (0.39) FFAR4FFAR1MRGPRX4PTGER1NR1H2
SCHEMBL18182537 0.79 NR1H2 (0.42) FFAR4FFAR1MRGPRX4NR1H2NR1H3

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