SCHEMBL18156516

SCHEMBL18156516

CCC(=O)Oc1cccc(Cl)c1COc1cc(Cl)c(CC)cc1CC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 1/20 0.39
PTGER4 P35408 1/20 0.39
PTGER3 P43115 1/20 0.39
PTGER2 P43116 1/20 0.39
MRGPRX4 Q96LA9 2/20 0.39
FABP4 P15090 3/20 0.39
FABP5 Q01469 3/20 0.39
FABP3 P05413 1/20 0.39
TP53 P04637 2/20 0.39
HTT P42858 1/20 0.39
SGMS2 Q8NHU3 1/20 0.37
NPC1 O15118 2/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
MITF O75030 1/20 0.36
HPGD P15428 1/20 0.36
XBP1 P17861 1/20 0.36
NFKB1 P19838 1/20 0.36
RAB9A P51151 1/20 0.36
NFKB2 Q00653 1/20 0.36

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
SCHEMBL18183063 0.93 MRGPRX4 (0.41) PTGER1PTGER4PTGER3PTGER2MRGPRX4
SCHEMBL18156301 0.93 MRGPRX4 (0.41) PTGER1PTGER4PTGER3PTGER2MRGPRX4
SCHEMBL18182846 0.91 PTGER1 (0.38) PTGER1PTGER4PTGER3PTGER2MRGPRX4
SCHEMBL18532841 0.91 SLC22A12 (0.39) PTGER1PTGER4PTGER3PTGER2MRGPRX4
SCHEMBL18183057 0.91 MRGPRX4 (0.40) MRGPRX4FABP4FABP5FABP3TP53
SCHEMBL18182029 0.91 ALDH1A1 (0.39) PTGER1PTGER4PTGER3PTGER2MRGPRX4
SCHEMBL18530987 0.91 PTGER1 (0.38) PTGER1PTGER4PTGER3PTGER2MRGPRX4
SCHEMBL18183056 0.91 MRGPRX4 (0.40) MRGPRX4FABP4FABP5FABP3TP53
SCHEMBL18532840 0.91 MAPT (0.38) PTGER1PTGER4PTGER3PTGER2MRGPRX4
SCHEMBL18183023 0.90 MRGPRX4 (0.39) PTGER1PTGER4PTGER3PTGER2MRGPRX4

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