SCHEMBL5498902

SCHEMBL5498902

N#C/N=C(/N)NCCCCNC(=O)N(CCc1ccccc1)C(=O)CCCC(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.45
TSHR P16473 1/20 0.45
KDM4A O75164 1/20 0.39
KDM5A P29375 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
PHF8 Q9UPP1 1/20 0.39
KDM2A Q9Y2K7 1/20 0.39
ATM Q13315 1/20 0.37
ALOX5 P09917 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC2 Q92769 2/20 0.36
HDAC8 Q9BY41 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
HDAC3 O15379 1/20 0.36
MAPK1 P28482 1/20 0.36
ADRA1A P35348 1/20 0.36
HDAC4 P56524 1/20 0.36
SLC6A3 Q01959 1/20 0.36
HDAC7 Q8WUI4 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
SCHEMBL5498905 1.00 LMNA (0.45) LMNATSHRKDM4AKDM5AKDM4C
SCHEMBL5494954 0.78 LMNA (0.45) LMNATSHRKDM4AKDM5AKDM4C
SCHEMBL5486717 0.72 CHRNB2 (0.52)
SCHEMBL5486713 0.72 CHRNB2 (0.52)
SCHEMBL5507462 0.71 LMNA (0.40) LMNATSHRKDM4AKDM5AKDM4C
SCHEMBL5507458 0.71 LMNA (0.40) LMNATSHRKDM4AKDM5AKDM4C
SCHEMBL5158167 0.70 ALDH1A1 (0.46) LMNATSHRKDM4AKDM5AKDM4C
SCHEMBL5498907 0.69 LMNA (0.43) LMNATSHRKDM4AATMSMN1; SMN2
SCHEMBL5489228 0.67 F2 (0.43) LMNATSHRF2
SCHEMBL5163048 0.66 ALDH1A1 (0.58) KDM4AKDM5AKDM4CPHF8KDM2A

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
EP-1753782-A1 MEDIATORS OF REVERSE CHOLESTEROL TRANSPORT FOR THE TREATMENT OF HYPERCHOLESTEROLEMIA AVANIR PHARMACEUTICALS (US) 2007-02-21 EP disclosed
WO-2005123770-A1 MEDIATORS OF REVERSE CHOLESTEROL TRANSPORT FOR THE TREATMENT OF HYPERCHOLESTEROLEMIA AVANIR PHARMACEUTICALS (US) 2005-12-29 WO disclosed