SCHEMBL7276265

SCHEMBL7276265

CC(C)(C)OC(=O)CN1CCN(C(=O)CNC(=O)OCc2ccccc2)[C@@H](CCC(=O)O)C1=O

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 14/20 0.49
ITGA2B P08514 14/20 0.49
PREP P48147 2/20 0.44
PLA2G10 O15496 1/20 0.41
PLA2G5 P39877 1/20 0.41
SIGMAR1 Q99720 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL7292968 0.94 ITGB3 (0.53) ITGB3ITGA2BPREPPLA2G10PLA2G5
SCHEMBL7287855 0.91 ITGB3 (0.52) ITGB3ITGA2BPREP
SCHEMBL7331961 0.91 ITGB3 (0.48) ITGB3ITGA2BPREPPLA2G10PLA2G5
SCHEMBL7342979 0.90 ITGB3 (0.48) ITGB3ITGA2BPREPPLA2G10PLA2G5
SCHEMBL7296887 0.89 PREP (0.43) ITGB3ITGA2BPREPPLA2G10PLA2G5
SCHEMBL7286805 0.89 PREP (0.43) ITGB3ITGA2BPREPPLA2G10PLA2G5
SCHEMBL7295450 0.89 PREP (0.45) ITGB3ITGA2BPREPPLA2G10PLA2G5
SCHEMBL7277836 0.89 ITGB3 (0.52) ITGB3ITGA2BPREPPLA2G10PLA2G5
SCHEMBL7277827 0.89 ITGB3 (0.52) ITGB3ITGA2BPREPPLA2G10PLA2G5
SCHEMBL7295402 0.89 MAPT (0.42) ITGB3ITGA2BPREPPLA2G10PLA2G5

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
EP-0529858-B1 2-Piperazinone compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1997-10-15 EP disclosed
US-5294713-A Inhibiting cell adhesion TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-03-15 US disclosed
EP-0529858-A1 2-Piperazinone compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1993-03-03 EP disclosed