SCHEMBL5495822

SCHEMBL5495822

CC(C)(CC(=O)O)CC(=O)NC[C@@H](C(=O)NCCCCNc1ncccn1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4A O75164 1/20 0.41
NAAA Q02083 2/20 0.37
POLB P06746 1/20 0.37
HPGD P15428 1/20 0.36
ITGB3 P05106 2/20 0.36
ITGAV P06756 2/20 0.36
PDPK1 O15530 1/20 0.36
GAA P10253 2/20 0.35
RET P07949 1/20 0.35
KDR P35968 1/20 0.35
GLS O94925 1/20 0.35

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
SCHEMBL5501542 0.84 KDM4A (0.39) KDM4ANAAAPOLBHPGDITGB3
SCHEMBL5501061 0.80 ITGB3 (0.46) HPGDITGB3ITGAV
SCHEMBL5495303 0.79 CHRNB2 (0.50)
SCHEMBL5492131 0.77 CHRNB2 (0.46)
SCHEMBL5496941 0.77 CHRNB2 (0.46)
SCHEMBL5504521 0.74 ITGB3 (0.39) POLBITGB3ITGAVGAARET
SCHEMBL5502048 0.74 ITGB3 (0.39) POLBITGB3ITGAVGAARET
SCHEMBL5159894 0.72 MEN1 (0.46) HPGDGAA
SCHEMBL5495127 0.72 PROC (0.38) HPGDITGB3ITGAVRETKDR
SCHEMBL5495851 0.72 KDM4A (0.43) KDM4ANAAAPOLBGLS

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