SCHEMBL18156130

SCHEMBL18156130

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

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 12/20 0.36
KIT P10721 1/20 0.34
RXRA P19793 2/20 0.33
RXRB P28702 2/20 0.33
RXRG P48443 2/20 0.33
KCNK3 O14649 1/20 0.33
KCNK9 Q9NPC2 1/20 0.33
PTGER1 P34995 1/20 0.32
FFAR1 O14842 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
PPARG P37231 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31

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
SCHEMBL18156126 0.92 PTGER1 (0.38) MRGPRX4PTGER1
SCHEMBL18182434 0.92 MRGPRX4 (0.37) MRGPRX4KITRXRARXRBRXRG
SCHEMBL18182631 0.92 MRGPRX4 (0.36) MRGPRX4KITRXRARXRBRXRG
SCHEMBL18182609 0.91 MRGPRX4 (0.42) MRGPRX4KITKCNK3KCNK9
SCHEMBL18178782 0.88 MRGPRX4 (0.36) MRGPRX4RXRARXRBRXRGKCNK3
SCHEMBL18156348 0.86 MRGPRX4 (0.42) MRGPRX4RXRARXRBRXRGFFAR1
SCHEMBL18178603 0.85 MRGPRX4 (0.37) MRGPRX4KCNK3KCNK9PTGER1FFAR1
SCHEMBL18156495 0.85 FFAR4 (0.39) MRGPRX4RXRARXRBRXRGKCNK3
SCHEMBL18178511 0.85 MRGPRX4 (0.40) MRGPRX4RXRARXRBRXRGFFAR1
SCHEMBL18178708 0.85 MRGPRX4 (0.38) MRGPRX4KCNK3KCNK9PPARG

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