SCHEMBL8655974

SCHEMBL8655974

CCCCCCCNCc1cccc(OC)c1OCc1ccccc1

nearest known ligand 0.82

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BCHE P06276 12/20 0.82
KDM4E B2RXH2 1/20 0.71
L3MBTL1 Q9Y468 1/20 0.71
LMNA P02545 2/20 0.60
MITF O75030 1/20 0.60
MAPT P10636 1/20 0.60
MAPK1 P28482 1/20 0.60
KMT2A Q03164 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.56
GRIN1 Q05586 2/20 0.56
GRIN2A Q12879 2/20 0.56
CHRM2 P08172 1/20 0.56

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
SCHEMBL8687308 0.89 BCHE (0.69) BCHEKDM4EL3MBTL1LMNAMITF
SCHEMBL8688760 0.89 BCHE (1.00) BCHEKDM4EL3MBTL1LMNAMITF
SCHEMBL3962959 0.85 CHRM2 (0.63) BCHEMAPTKMT2ASMN1; SMN2GRIN1
SCHEMBL8781195 0.84 KDM4E (0.63) BCHEKDM4EL3MBTL1GRIN1GRIN2A
Hydrochloric Acid SCHEMBL7547505 0.79 CHRM2 (0.85) BCHEMAPTKMT2ASMN1; SMN2GRIN1
SCHEMBL3965713 0.79 ALDH1A1 (0.60) BCHEGRIN1GRIN2ACHRM2
SCHEMBL9264786 0.79 BCHE (0.53) BCHEKDM4EL3MBTL1KMT2A
SCHEMBL9264780 0.79 BCHE (0.53) BCHEKDM4EL3MBTL1KMT2A
SCHEMBL27489315 0.78 BCHE (0.80) BCHE
SCHEMBL13888119 0.78 BCHE (0.69) BCHEKDM4EL3MBTL1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-10310560-A None JP disclosed
JP-H10310560-A AMINE DERIVATIVE MITSUBISHI CHEM CORP 1998-11-24 JP disclosed
US-5807860-A ACYLCOENZYME A:CHOLESTEROL ACYLTRANSFERASE INHIBITORS; HYPERLIPEMIA, ATHEROSCLEROSIS; ANTICHOLESTEROL AGENTS MITSUBISHI CHEMICAL CORPORATION (JP) 1998-09-15 US disclosed
EP-0773218-A1 N-(Piperazinylalkoxyphenyl)-N'phenylalkylurea derivatives as ACAT inhibitors for the treatment of atheroschlerosis MITSUBISHI CHEMICAL CORPORATION (JP) 1997-05-14 EP disclosed