SCHEMBL8716708

SCHEMBL8716708

O=C(O)COC1CCC(O)CC1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.39
ITGA2B P08514 6/20 0.39
PTGIR P43119 7/20 0.35
ADCY5 O95622 1/20 0.34
TSHR P16473 1/20 0.33
CTH P32929 1/20 0.33
CBS P35520 1/20 0.33
THPO P40225 1/20 0.33
EPHX2 P34913 1/20 0.33
THRB P10828 1/20 0.32

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
SCHEMBL9194978 0.91
SCHEMBL29755709 0.84 ITGB3 (0.40) ITGB3ITGA2BPTGIRADCY5TSHR
SCHEMBL1733927 0.81
SCHEMBL360541 0.81 ITGB3 (0.41) ITGB3ITGA2BPTGIRTSHRCTH
SCHEMBL8357542 0.80 ITGB3 (0.38) ITGB3ITGA2BPTGIRADCY5TSHR
SCHEMBL8560336 0.80 ITGB3 (0.38) ITGB3ITGA2BPTGIRADCY5TSHR
SCHEMBL8415991 0.80 ITGB3 (0.38) ITGB3ITGA2BPTGIRADCY5TSHR
SCHEMBL25475513 0.79 TSHR (0.35) ITGB3ITGA2BPTGIRADCY5TSHR
SCHEMBL1734827 0.79 THRA (0.42) ITGB3ITGA2BPTGIRTHRB
SCHEMBL20721981 0.79 TSHR (0.35) ITGB3ITGA2BPTGIRADCY5TSHR

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-5753670-A ANTICOAGULANTS THE GREEN CROSS CORPORATION (JP) 1998-05-19 US disclosed
US-5635527-A ANTAGONIST OF PLATELET MEMBRANE GLYCOPROTEIN; TREATMENT OF THROMBOTIC DISEASES THE GREEN CROSS CORPORATION (JP) 1997-06-03 US disclosed
EP-0712844-A1 NOVEL FUSED-RING CARBOXYLIC ACID COMPOUND OR SALT THEREOF, AND MEDICINAL USE THEREOF THE GREEN CROSS CORPORATION (JP) 1996-05-22 EP disclosed