SCHEMBL5502048

SCHEMBL5502048

CC(C)(CC(=O)O)CC(=O)NCCC(=O)NC[C@@H](CCNc1ncccn1)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.39
ITGAV P06756 3/20 0.39
ITGA2B P08514 3/20 0.39
ITGB5 P18084 2/20 0.38
ITGB6 P18564 2/20 0.38
RET P07949 1/20 0.36
KDR P35968 1/20 0.36
MCHR1 Q99705 1/20 0.35
MMP2 P08253 5/20 0.34
MMP9 P14780 5/20 0.34
MMP8 P22894 5/20 0.34
MMP12 P39900 5/20 0.34
MMP14 P50281 5/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
MAPT P10636 2/20 0.33
GAA P10253 2/20 0.33
GCGR P47871 4/20 0.33

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
SCHEMBL5504521 1.00 ITGB3 (0.39) ITGB3ITGAVITGA2BITGB5ITGB6
SCHEMBL5495006 0.87 ITGB3 (0.39) ITGB3ITGAVITGA2BITGB5ITGB6
SCHEMBL5499706 0.87 ITGB3 (0.39) ITGB3ITGAVITGA2BITGB5ITGB6
SCHEMBL5495822 0.74 KDM4A (0.41) ITGB3ITGAVRETKDRGAA
SCHEMBL5496941 0.71 CHRNB2 (0.46)
SCHEMBL5492131 0.71 CHRNB2 (0.46)
SCHEMBL5501061 0.70 ITGB3 (0.46) ITGB3ITGAVITGA2BITGB5ITGB6
T-Butylacetic Acid SCHEMBL10533287 0.66 MEN1 (0.40) ITGB3ITGAVKMT2AMEN1NPC1
SCHEMBL6669034 0.64 ITGAV (0.77) ITGB3ITGAVITGA2BITGB5ITGB6
SCHEMBL6669430 0.64 ITGAV (0.82) ITGB3ITGAVITGA2BITGB5ITGB6

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