SCHEMBL5499706

SCHEMBL5499706

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.39
ITGAV P06756 4/20 0.39
ITGA2B P08514 3/20 0.39
ITGB5 P18084 2/20 0.38
ITGB6 P18564 2/20 0.38
MME P08473 1/20 0.36
MCHR1 Q99705 1/20 0.35
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
S1PR1 P21453 1/20 0.34
MMP2 P08253 3/20 0.33
MMP9 P14780 3/20 0.33
MMP8 P22894 3/20 0.33
MMP12 P39900 3/20 0.33
MMP14 P50281 3/20 0.33
MAPT P10636 2/20 0.33
GAA P10253 1/20 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
SCHEMBL5495006 1.00 ITGB3 (0.39) ITGB3ITGAVITGA2BITGB5ITGB6
SCHEMBL5504521 0.87 ITGB3 (0.39) ITGB3ITGAVITGA2BITGB5ITGB6
SCHEMBL5502048 0.87 ITGB3 (0.39) ITGB3ITGAVITGA2BITGB5ITGB6
SCHEMBL5501542 0.74 KDM4A (0.39) ITGB3ITGAVGAAPOLB
SCHEMBL5488901 0.72 CHRNB2 (0.46) MME
SCHEMBL5499120 0.72 CHRNB2 (0.46) MME
SCHEMBL5501061 0.68 ITGB3 (0.46) ITGB3ITGAVITGA2BITGB5ITGB6
SCHEMBL5492925 0.68 CHRNB2 (0.51) KMT2A
Trifluoroacetic Acid SCHEMBL6670329 0.66 ITGAV (0.70) ITGB3ITGAVITGA2BITGB5ITGB6
Trifluoroacetic Acid SCHEMBL6672107 0.66 ITGAV (0.74) 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