SCHEMBL9259909

SCHEMBL9259909

CCOC(=O)COC1CCC(CCNC(C)=O)CC1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.36
ITGA2B P08514 4/20 0.36
GAA P10253 2/20 0.35
MGAM O43451 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
KMT2A Q03164 1/20 0.35
EPHX2 P34913 2/20 0.35
MTNR1A P48039 2/20 0.33
NQO2 P16083 1/20 0.33
MTNR1B P49286 1/20 0.33
BCHE P06276 3/20 0.32
ACHE P22303 2/20 0.32
CACNA1F O60840 1/20 0.32
CACNA1D Q01668 1/20 0.32
CACNA1S Q13698 1/20 0.32
CACNA1C Q13936 1/20 0.32
POLB P06746 1/20 0.32
EPHX1 P07099 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
SCHEMBL9259973 0.79 CYP1A2 (0.41) ITGB3ITGA2BGAAMGAMSI
SCHEMBL5392965 0.78
SCHEMBL2094939 0.77 MTNR1A (0.40) MTNR1ANQO2MTNR1BEPHX1
SCHEMBL15432442 0.76 ALDH1A1 (0.41) ITGB3ITGA2BGAAMGAMSI
SCHEMBL3248583 0.74 KMT2A (0.47) ITGB3ITGA2BGAAMGAMSI
SCHEMBL3248382 0.74 KMT2A (0.51) ITGB3ITGA2BGAAMGAMSI
SCHEMBL9262808 0.73 ALDH1A1 (0.48) POLB
SCHEMBL8395535 0.73 HRH4 (0.45) KMT2AACHEEPHX1
SCHEMBL3251414 0.73 KMT2A (0.50) ITGB3ITGA2BGAAMGAMSI
SCHEMBL3252087 0.73 KMT2A (0.50) ITGB3ITGA2BGAAMGAMSI

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
US-5407951-A Anticoagulants, muscle relaxants, bronchodilators BOEHRINGER MANNHEIM GMBH (DE) 1995-04-18 US disclosed
US-5140038-A Thromboxane A2 antagonists BOEHRINGER MANNHEIM GMBH (DE) 1992-08-18 US disclosed