SCHEMBL7419405

SCHEMBL7419405

CN(OCC(=O)C(CC(=O)O)NC(=O)OCc1ccccc1)C(=O)CCc1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 20/20 0.70

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
SCHEMBL7417813 0.89 CASP1 (0.69) CASP1
SCHEMBL7414525 0.88 CASP1 (0.68) CASP1
SCHEMBL7417721 0.87 CASP1 (0.69) CASP1
SCHEMBL7417575 0.85 CASP1 (0.65) CASP1
SCHEMBL7418462 0.82 CASP1 (1.00) CASP1
SCHEMBL7412772 0.80 CASP1 (1.00) CASP1
SCHEMBL7419617 0.78 CASP1 (1.00) CASP1
SCHEMBL7419623 0.78 CASP1 (1.00) CASP1
SCHEMBL21057770 0.77 CASP1 (0.69) CASP1
Naphthalene SCHEMBL7413788 0.76 CASP1 (0.71) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001019373-A2 METHODS AND COMPOSITIONS FOR MODULATING RESPONSIVENESS TO CORTICOSTEROIDS BASF AKTIENGESELLSCHAFT (DE) 2001-03-22 WO disclosed