SCHEMBL7416573

SCHEMBL7416573

O=C(O)C[C@H](NC(=O)OCc1ccccc1)C(=O)CBr

nearest known ligand 0.69

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 20/20 0.69

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
SCHEMBL6195776 1.00 CASP1 (0.69) CASP1
SCHEMBL19067195 0.89 CASP1 (0.57) CASP1
SCHEMBL7327386 0.87 TACR1 (0.62)
SCHEMBL6330507 0.87 TACR1 (0.62)
SCHEMBL27544004 0.87 CASP3 (0.59) CASP1
SCHEMBL27544008 0.87 CASP3 (0.59) CASP1
SCHEMBL9069236 0.86 CASP1 (0.59) CASP1
SCHEMBL21057770 0.86 CASP1 (0.69) CASP1
SCHEMBL4280674 0.85 CASP1 (0.67) CASP1
SCHEMBL4280669 0.85 CASP1 (0.67) CASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023215559-A1 COMPOUNDS, COMPOSITIONS, AND METHODS ARIA PHARMACEUTICALS, INC. (US) 2023-11-09 WO disclosed
WO-2001019373-A2 METHODS AND COMPOSITIONS FOR MODULATING RESPONSIVENESS TO CORTICOSTEROIDS BASF AKTIENGESELLSCHAFT (DE) 2001-03-22 WO disclosed
CN-1269722-A Method and composition for modulating responsiveness to corticosteroids BASF AG (DE) 2000-10-11 CN disclosed
EP-0998300-A1 METHODS AND COMPOSITIONS FOR MODULATING RESPONSIVENESS TO CORTICOSTEROIDS BASF AKTIENGESELLSCHAFT (DE) 2000-05-10 EP disclosed
WO-1998041232-A2 COMPOSITIONS FOR MODULATING RESPONSIVENESS TO CORTICOSTEROIDS BASF AKTIENGESELLSCHAFT (DE) 1998-09-24 WO disclosed