SCHEMBL16891561

SCHEMBL16891561

CC(C)(C)OC(=O)NCc1ccc2cc(Cc3cc(C(=O)O)ccn3)ccc2n1

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 20/20 0.53
▸ MAP4K1 Q92918 19/20 0.53

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
SCHEMBL17442566 0.91 KLKB1 (0.52) KLKB1MAP4K1
SCHEMBL17442586 0.86 KLKB1 (0.68) KLKB1MAP4K1
SCHEMBL16891557 0.83 KLKB1 (0.79) KLKB1MAP4K1
SCHEMBL30097021 0.82 ACACB (0.46) —
SCHEMBL508770 0.82 ACACB (0.46) —
SCHEMBL16881106 0.80 KLKB1 (0.51) KLKB1MAP4K1
SCHEMBL27640625 0.78 CYP17A1 (0.46) —
SCHEMBL17442609 0.78 KLKB1 (0.66) KLKB1MAP4K1
SCHEMBL17447260 0.77 KLKB1 (0.51) KLKB1MAP4K1
SCHEMBL18370807 0.76 KLKB1 (0.51) KLKB1MAP4K1

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-2015103317-A1 THERAPEUTIC INHIBITORY COMPOUNDS LIFESCI PHARMACEUTICALS, INC. (BB) 2015-07-09 — — WO disclosed
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