SCHEMBL5494954

SCHEMBL5494954

N=C(N)NCCCCNC(=O)N(CCc1ccccc1)C(=O)CCC(=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 0.41
KDM5A P29375 1/20 0.41
KDM4C Q9H3R0 1/20 0.41
PHF8 Q9UPP1 1/20 0.41
KDM2A Q9Y2K7 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PKM P14618 1/20 0.41
HDAC1 Q13547 2/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC8 Q9BY41 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
HPGD P15428 1/20 0.40
GAA P10253 1/20 0.39
ATM Q13315 1/20 0.39
ALOX5 P09917 1/20 0.39
HDAC3 O15379 1/20 0.39
MAPK1 P28482 1/20 0.39
ADRA1A P35348 1/20 0.39

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
SCHEMBL5495837 0.82 POLB (0.41) LMNAL3MBTL1HDAC1HDAC2HDAC8
SCHEMBL5499890 0.81 GAA (0.36) LMNATSHRHPGDGAA
SCHEMBL5501523 0.81 POLB (0.41) LMNATSHRL3MBTL1HDAC1HDAC2
SCHEMBL5498905 0.78 LMNA (0.45) LMNATSHRKDM4AKDM5AKDM4C
SCHEMBL5498902 0.78 LMNA (0.45) LMNATSHRKDM4AKDM5AKDM4C
SCHEMBL21171920 0.73 TRPV1 (0.56) LMNATSHRL3MBTL1HPGDTRPV1
SCHEMBL5160138 0.72 ALDH1A1 (0.44) L3MBTL1PKMHDAC1HDAC2HDAC8
SCHEMBL8202834 0.72 L3MBTL1 (0.58) TSHRL3MBTL1HPGDGAANPC1
SCHEMBL10630007 0.71 LMNA (0.68) LMNATSHRL3MBTL1HDAC1HDAC2
Hydrochloric Acid SCHEMBL28129395 0.70 L3MBTL1 (0.56) L3MBTL1HPGDGAAMEN1NPC1

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