SCHEMBL761888

SCHEMBL761888

C/C=C1/CCC(=O)CC1CC(=O)O

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 2/20 0.35
ITGA5 P08648 2/20 0.35
ITGB3 P05106 1/20 0.35
ITGB2 P05107 1/20 0.35
ITGAV P06756 1/20 0.35
ITGA2B P08514 1/20 0.35
ITGB5 P18084 1/20 0.35
ITGAL P20701 1/20 0.35
AKR1C4 P17516 1/20 0.32
AKR1C3 P42330 1/20 0.32
AKR1C2 P52895 1/20 0.32
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
TP53 P04637 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL8149190 0.76 ITGB1 (0.41) ITGB1ITGA5ITGB3ITGB2ITGAV
SCHEMBL7787321 0.74 L3MBTL1 (0.37) AKR1C4AKR1C3AKR1C2ALDH1A1POLB
SCHEMBL6349829 0.73 ITGB3 (0.33) ITGB1ITGA5ITGB3ITGB2ITGAV
SCHEMBL8631434 0.64 ITGB1 (0.48) ITGB1ITGA5ITGB3ITGB2ITGAV
SCHEMBL28066720 0.63
SCHEMBL11042273 0.63 ITGB3 (0.39) ITGB1ITGA5ITGB3ITGB2ITGAV
SCHEMBL114053 0.62 AKR1C4 (0.41) ITGB1ITGA5ITGB3ITGB2ITGAV
SCHEMBL29954148 0.62 ALDH1A1 (0.58) ITGB1ITGA5ITGB3ITGB2ITGAV
SCHEMBL10248636 0.62 ALDH1A1 (0.40) ITGB1ITGA5ITGB3ITGB2ITGAV
SCHEMBL2559145 0.62 ALDH1A1 (0.58) ITGB1ITGA5ITGB3ITGB2ITGAV

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8138224-B2 Nutritional or therapeutic composition containing the compound oleuropeine or one of the derivatives thereof INSTITUT NATIONAL DE LA RECHERCHE AGRONOMIQUE (INRA) (FR) 2012-03-20 US disclosed
US-8138224-B2 Nutritional or therapeutic composition containing the compound oleuropeine or one of the derivatives thereof INSTITUT NATIONAL DE LA RECHERCHE AGRONOMIQUE (INRA) (FR) 2012-03-20 US disclosed
EP-1617836-B1 NUTRITIONAL OR THERAPEUTIC COMPOSITION CONTAINING THE COMPOUND OLEUROPEINE OR ONE OF THE DERIVATIVES THEREOF AGRONOMIQUE INST NAT RECH (FR) 2011-11-30 EP disclosed