SCHEMBL18156515

SCHEMBL18156515

CCC(=O)Oc1ccccc1COc1cc(Cl)c(CC)cc1CC

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.46
HTT P42858 1/20 0.46
MRGPRX4 Q96LA9 5/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.42
FABP4 P15090 4/20 0.40
FABP5 Q01469 4/20 0.40
NPC1 O15118 1/20 0.40
FABP3 P05413 1/20 0.40
HDAC8 Q9BY41 2/20 0.38
FFAR1 O14842 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
PTGER1 P34995 1/20 0.38
LTB4R Q15722 1/20 0.37
LTB4R2 Q9NPC1 1/20 0.37
MCL1 Q07820 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL18182605 0.92 TP53 (0.46) TP53HTTMRGPRX4PTGDR2FABP4
SCHEMBL18532839 0.90 PTGDR2 (0.48) TP53HTTMRGPRX4PTGDR2FABP4
SCHEMBL18530979 0.90 PTGDR2 (0.46) TP53HTTMRGPRX4PTGDR2FABP4
SCHEMBL18182577 0.89 ALDH1A1 (0.43) TP53HTTMRGPRX4PTGDR2FABP4
SCHEMBL18156101 0.89 HTT (0.43) TP53HTTMRGPRX4PTGDR2FABP4
SCHEMBL18182866 0.89 TP53 (0.45) TP53HTTMRGPRX4PTGDR2FABP4
SCHEMBL18183063 0.88 MRGPRX4 (0.41) TP53HTTMRGPRX4FABP4FABP5
SCHEMBL18182450 0.87 TP53 (0.41) TP53HTTMRGPRX4PTGDR2FABP4
SCHEMBL18182602 0.86 MRGPRX4 (0.45) TP53HTTMRGPRX4PTGDR2FABP4
SCHEMBL18182890 0.86 PTGDR2 (0.43) PTGDR2NPC1FFAR1FFAR4LTB4R

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9573904-B2 Aromatic compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-02-21 US disclosed
EP-3081559-A1 AROMATIC COMPOUND AND APPLICATION FOR SAME Sumitomo Chemical Company, Limited (JP) 2016-10-19 EP disclosed