SCHEMBL18156319

SCHEMBL18156319

CCC(=O)Oc1cccc(S)c1COc1cc(Cl)c(CC)cc1Br

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 5/20 0.38
FABP3 P05413 1/20 0.35
FABP4 P15090 1/20 0.35
FABP5 Q01469 1/20 0.35
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
HTT P42858 1/20 0.33
PTGER1 P34995 1/20 0.32
PTGER4 P35408 1/20 0.32
PTGER3 P43115 1/20 0.32
PTGER2 P43116 1/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL18182642 0.91 PTGER1 (0.38) MRGPRX4FABP3FABP4FABP5NPC1
SCHEMBL18182578 0.91 MRGPRX4 (0.37) MRGPRX4FABP3FABP4FABP5NPC1
SCHEMBL18532764 0.91 MRGPRX4 (0.39) MRGPRX4FABP3FABP4FABP5NPC1
SCHEMBL18532766 0.89 MRGPRX4 (0.38) MRGPRX4FABP3FABP4FABP5NPC1
SCHEMBL18532767 0.89 MRGPRX4 (0.38) MRGPRX4FABP3FABP4FABP5NPC1
SCHEMBL18156248 0.89 SLC22A12 (0.37) MRGPRX4FABP3FABP4FABP5NPC1
SCHEMBL18156269 0.88 MRGPRX4 (0.37) MRGPRX4FABP3FABP4FABP5ALDH1A1
SCHEMBL18182600 0.88 MRGPRX4 (0.35) MRGPRX4FABP3FABP4FABP5NPC1
SCHEMBL18532837 0.88 MRGPRX4 (0.42) MRGPRX4FABP3FABP4FABP5PTGER1
SCHEMBL18532768 0.86 KDM4E (0.34) MRGPRX4FABP3FABP4FABP5NPC1

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