SCHEMBL19744367

SCHEMBL19744367

Cc1ccccc1[C@H](CC(=O)O)NC(=O)OC(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CTSA P10619 20/20 0.55

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
SCHEMBL31757758 1.00 CTSA (0.55) CTSA
SCHEMBL19744371 1.00 CTSA (0.55) CTSA
SCHEMBL31757886 0.86 CTSS (0.44) CTSA
SCHEMBL29748599 0.86 JAK2 (0.43)
SCHEMBL22457063 0.86 JAK2 (0.43)
SCHEMBL29747547 0.86 JAK2 (0.43)
SCHEMBL10270101 0.86 JAK2 (0.43)
SCHEMBL14879141 0.86 CTSA (0.62) CTSA
SCHEMBL1157183 0.85 CTSA (0.50) CTSA
SCHEMBL1147244 0.85 CTSA (0.56) CTSA

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-2017222083-A1 NOVEL COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-12-28 WO disclosed