SCHEMBL9052952

SCHEMBL9052952

CCCC(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)O

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.69
GPR34 Q9UPC5 9/20 0.68
ITGB3 P05106 5/20 0.67
ITGA2B P08514 5/20 0.67
MME P08473 1/20 0.65
ACE P12821 1/20 0.65
CPA1 P15085 1/20 0.65
ACE2 Q9BYF1 1/20 0.65
GPR132 Q9UNW8 1/20 0.59

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
SCHEMBL5966692 0.91 ITGB3 (0.72) PPARGGPR34ITGB3ITGA2BMME
SCHEMBL9055790 0.91 ITGB3 (0.72) PPARGGPR34ITGB3ITGA2BMME
SCHEMBL13314871 0.91 PPARG (0.58) PPARGGPR34ITGB3ITGA2BMME
SCHEMBL14413890 0.90 GPR34 (0.71) PPARGGPR34ITGB3ITGA2BMME
SCHEMBL31390144 0.90 GPR34 (0.71) PPARGGPR34ITGB3ITGA2BMME
SCHEMBL5398899 0.87 GPR34 (0.74) PPARGGPR34ITGB3ITGA2BMME
SCHEMBL28045698 0.87 GPR34 (0.74) PPARGGPR34ITGB3ITGA2BMME
SCHEMBL28045699 0.87 GPR34 (0.74) PPARGGPR34ITGB3ITGA2BMME
SCHEMBL265066 0.87 FAAH (0.64) ITGB3ITGA2BMMEACECPA1
SCHEMBL11793269 0.87 FAAH (0.64) ITGB3ITGA2BMMEACECPA1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996022962-A9 BUTYRYL-TYROSINYL SPERMINE, ANALOGS THEREOF AND METHODS OF PREPARING AND USING SAME 1996-10-03 WO disclosed