SCHEMBL6674540

SCHEMBL6674540

CCC(O)Oc1cccc(OCc2c(Cl)cccc2Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 1/20 0.41
NR4A2 P43354 1/20 0.41
RAB9A P51151 1/20 0.41
NR1H4 Q96RI1 3/20 0.41
GPBAR1 Q8TDU6 1/20 0.39
CYSLTR1 Q9Y271 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
ALOX12 P18054 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ITGB1 P05556 3/20 0.38
ITGA4 P13612 3/20 0.38
MAOA P21397 2/20 0.38
MAOB P27338 2/20 0.38
MET P08581 1/20 0.38
S1PR5 Q9H228 1/20 0.37
FFAR1 O14842 1/20 0.37
PIK3CD O00329 1/20 0.37
PIK3CA P42336 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
SCHEMBL4568939 0.80 SMN1; SMN2 (0.51) SMN1; SMN2NPC1NR4A2RAB9AGPBAR1
SCHEMBL18539782 0.76 TSHR (0.46) SMN1; SMN2LMNA
SCHEMBL18539785 0.75 HIF1A (0.47) SMN1; SMN2LMNA
SCHEMBL4568934 0.75 MAPK1 (0.49) SMN1; SMN2GPBAR1CYSLTR1ALDH1A1LMNA
SCHEMBL12110018 0.74 SOD1 (0.52) SMN1; SMN2NR1H4ALDH1A1MAOAMAOB
SCHEMBL1437471 0.74 MAOB (0.68) NPC1NR4A2RAB9ANR1H4MAOA
SCHEMBL14189348 0.73 SMN1; SMN2 (0.54) SMN1; SMN2ALDH1A1MAOAMAOB
SCHEMBL30412532 0.72 NR4A2 (0.74) NPC1NR4A2RAB9ANR1H4
SCHEMBL978508 0.72 NR4A2 (0.74) NPC1NR4A2RAB9ANR1H4
SCHEMBL30412953 0.72 NR4A2 (0.57) SMN1; SMN2NPC1NR4A2RAB9ANR1H4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1333027-B1 Production method of insecticidal and/or acaricidal ether compounds and intermediates thereof SUMITOMO CHEMICAL CO (JP) 2004-09-29 EP disclosed
EP-1333027-A1 Production method of insecticidal and/or acaricidal ether compounds and intermediates thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-08-06 EP disclosed
US-6590104-B1 Esterification of alcohols with heterocyclic imines to form ethers such as 1-benzyloxy-3,5-dichloro-4-(3-(5-trifluoro-methylpyridin-2 -yloxy)propoxy)benzene, used as insecticides or miticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-07-08 US disclosed