SCHEMBL7415844

SCHEMBL7415844

CC1(C)C2CC[C@]1(N(CC(=O)C(CC(=O)O)NC(=O)OCc1ccccc1)S(C)(=O)=O)C(=O)C2

nearest known ligand 0.48

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 20/20 0.48

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
SCHEMBL7381474 0.89 CASP3 (0.55) CASP1
SCHEMBL6158942 0.80 CASP1 (0.54) CASP1
SCHEMBL6158140 0.79 CASP1 (0.51) CASP1
SCHEMBL6157768 0.79 CASP1 (0.41) CASP1
SCHEMBL7415849 0.78 CASP1 (0.61) CASP1
SCHEMBL7413096 0.78 CASP1 (0.61) CASP1
SCHEMBL6159608 0.76 CASP1 (0.43) CASP1
SCHEMBL6157776 0.74 CASP1 (0.48) CASP1
SCHEMBL7381468 0.73 CASP1 (0.45) CASP1
SCHEMBL7599864 0.72 CASP1 (0.62) 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