SCHEMBL18156474

SCHEMBL18156474

CCC(=S)Oc1cccc(Cl)c1COc1cc(I)c(CC)cc1C

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 2/20 0.34
PTGER4 P35408 2/20 0.34
PTGER3 P43115 2/20 0.34
PTGER2 P43116 2/20 0.34
MRGPRX4 Q96LA9 3/20 0.33
FFAR1 O14842 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
NR1H4 Q96RI1 1/20 0.33
NPC1 O15118 1/20 0.33
MET P08581 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.32
SLC22A12 Q96S37 1/20 0.32
MAPK14 Q16539 1/20 0.32

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
SCHEMBL18182638 0.90 PTGER1 (0.35) PTGER1PTGER4PTGER3PTGER2MRGPRX4
SCHEMBL18179034 0.85 NPSR1 (0.36) PTGER1PTGER4PTGER3PTGER2MRGPRX4
SCHEMBL18182668 0.84 SLC22A12 (0.34) MRGPRX4SLC22A12
SCHEMBL18156337 0.81 FFAR4 (0.42) MRGPRX4FFAR1FFAR4NR1H4SLC22A12
SCHEMBL18178914 0.81 MRGPRX4 (0.42) PTGER1PTGER4PTGER3PTGER2MRGPRX4
SCHEMBL18182663 0.80 PTGER1 (0.36) PTGER1PTGER4PTGER3PTGER2MRGPRX4
SCHEMBL18182661 0.80 SLC22A12 (0.41) MRGPRX4PTGDR2SLC22A12
SCHEMBL18156513 0.80 SLC22A12 (0.36) MRGPRX4FFAR1FFAR4PTGDR2SLC22A12
SCHEMBL18182673 0.79 FFAR4 (0.35) MRGPRX4FFAR4NPC1SLC22A12
SCHEMBL18179041 0.78 MAPT (0.38) MRGPRX4FFAR1FFAR4PTGDR2SLC22A12

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