SCHEMBL9548274

SCHEMBL9548274

O=C(O)C1=NOC(C(=O)O)C1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.46
APAF1 O14727 1/20 0.46
GRK2 P25098 1/20 0.46
APOBEC3G Q9HC16 1/20 0.46
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
LMNA P02545 1/20 0.36
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
ITGB3 P05106 1/20 0.33
ITGA2B P08514 1/20 0.33
MLYCD O95822 4/20 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
SCHEMBL31308703 0.83 LMNA (0.38) POLBAPAF1GRK2APOBEC3GLMNA
SCHEMBL25398102 0.75 MLYCD (0.41) HPGDMLYCD
SCHEMBL13045925 0.74
SCHEMBL10759359 0.74
SCHEMBL9817365 0.74
SCHEMBL5793246 0.74
SCHEMBL25400795 0.71 POLB (0.44) POLBAPAF1GRK2APOBEC3GHPGD
SCHEMBL25399850 0.69 POLB (0.42) POLBAPAF1GRK2APOBEC3GHPGD
SCHEMBL24518114 0.68 POLB (0.41) POLBAPAF1GRK2APOBEC3GHPGD
SCHEMBL18935981 0.67 LMNA (0.44) HTTLMNAMLYCD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5273989-A 3,5-disubstituted 2-isoxazolines and isoxazoles, agents containing them and their use HOECHST AKTIENGESELLSCHAFT (DE) 1993-12-28 US claimed
EP-0451790-A1 3,5-disubstituted 2-isoxazolines and isoxazoles, process for their preparation, medicines containing them and their use HOECHST AKTIENGESELLSCHAFT (DE) 1991-10-16 EP claimed
US-5273989-A 3,5-disubstituted 2-isoxazolines and isoxazoles, agents containing them and their use HOECHST AKTIENGESELLSCHAFT (DE) 1993-12-28 US disclosed
EP-0451790-A1 3,5-disubstituted 2-isoxazolines and isoxazoles, process for their preparation, medicines containing them and their use HOECHST AKTIENGESELLSCHAFT (DE) 1991-10-16 EP disclosed