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Sugi Predict / Compounds / SCHEMBL10108125

SCHEMBL10108125

SCHEMBL10108125

CC(C)(C)OC(=O)/N=C(\NC(=O)OC(C)(C)C)NC1CCC(O)(C(=O)O)C1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 1/20 0.34
▸ GAA P10253 1/20 0.32
▸ EPHX1 P07099 1/20 0.31
▸ CTSK P43235 2/20 0.30
▸ NFKB1 P19838 1/20 0.30
▸ NFKB2 Q00653 1/20 0.30
▸ RELA Q04206 1/20 0.30
▸ HSD11B1 P28845 1/20 0.30

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
SCHEMBL10108121 0.90 BTK (0.35) BTKGAAEPHX1CTSKNFKB1
SCHEMBL10108126 0.90 BTK (0.35) BTKGAAEPHX1CTSKNFKB1
SCHEMBL9253646 0.82 BTK (0.49) BTKGAAEPHX1CTSKNFKB1
SCHEMBL13641946 0.81 BTK (0.37) BTKGAAEPHX1CTSKNFKB1
SCHEMBL10108129 0.78 NFKB1 (0.33) BTKNFKB1NFKB2RELA
SCHEMBL18256753 0.76 GAA (0.39) BTKGAAEPHX1CTSKNFKB1
SCHEMBL19508986 0.76 GAA (0.39) BTKGAAEPHX1CTSKNFKB1
SCHEMBL21580368 0.76 BTK (0.49) BTKGAAEPHX1CTSKNFKB1
SCHEMBL22233304 0.75 EPHX1 (0.40) BTKGAAEPHX1CTSKNFKB1
SCHEMBL22233303 0.75 EPHX1 (0.40) BTKGAAEPHX1CTSKNFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011044502-A9 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2012-02-23 — — WO disclosed
WO-2011044502-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2011-04-14 — — WO disclosed