SCHEMBL8948647

SCHEMBL8948647

CC(C)(C)N1CC(OCC(=O)O)C1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.52
PDK2 Q15119 1/20 0.34
ITGB3 P05106 2/20 0.33
ITGA2B P08514 2/20 0.33
ADCY5 O95622 1/20 0.32
CHRM3 P20309 2/20 0.31
CHRM2 P08172 1/20 0.31
ELANE P08246 1/20 0.30
CD69 Q07108 1/20 0.30
PTGIR P43119 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
POLB P06746 1/20 0.30
RBP4 P02753 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
SCHEMBL8948797 0.83 ATM (0.40) ATMITGB3ITGA2BCHRM3PTGIR
SCHEMBL8948694 0.81 ITGB3 (0.40) ATMITGB3ITGA2BCHRM3CHRM2
SCHEMBL21191260 0.79 ATM (0.39) ATM
SCHEMBL8948689 0.74 CYP3A4 (0.35) PDK2ITGB3ITGA2BCHRM3CHRM2
SCHEMBL20179858 0.73 ITGB3 (0.35) PDK2ITGB3ITGA2BPTGIR
SCHEMBL20329979 0.73 ATM (0.45) ATM
SCHEMBL16416415 0.72 ATM (0.46) ATMPDK2
SCHEMBL1723069 0.71 ITGB3 (0.33) PDK2ITGB3ITGA2BPTGIR
SCHEMBL1723072 0.71 PDK2 (0.34) PDK2ITGB3ITGA2BPTGIR
SCHEMBL20722066 0.70 PDK2 (0.38) PDK2ITGB3ITGA2BPTGIR

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
US-5532255-A Adhesion receptor antagonists MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1996-07-02 US disclosed