SCHEMBL17546545

SCHEMBL17546545

CC(C)(C)OC(=O)Oc1c(C(C)(C)C)cc(CCC(=O)OCCNC(=O)C=O)cc1C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 4/20 0.38
▸ KMT2A Q03164 2/20 0.37
▸ VCAM1 P19320 8/20 0.35
▸ IDO1 P14902 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ ALOX5 P09917 1/20 0.31
▸ APP P05067 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
SCHEMBL17176996 0.90 GAA (0.39) GAAKMT2AVCAM1IDO1TDP1
SCHEMBL17171726 0.84 VCAM1 (0.38) GAAKMT2AVCAM1TDP1ALOX5
SCHEMBL17171727 0.83 VCAM1 (0.39) GAAKMT2AVCAM1TDP1ALOX5
SCHEMBL17546542 0.83 GAA (0.39) GAAKMT2AVCAM1TDP1ALOX5
SCHEMBL19103204 0.82 VCAM1 (0.36) GAAKMT2AVCAM1TDP1ALOX5
SCHEMBL19103203 0.81 VCAM1 (0.38) GAAKMT2AVCAM1TDP1ALOX5
SCHEMBL16790504 0.81 VCAM1 (0.38) GAAKMT2AVCAM1MEN1
SCHEMBL17171730 0.81 CYP4F2 (0.43) GAAKMT2AVCAM1
SCHEMBL17171725 0.81 VCAM1 (0.51) GAAKMT2AVCAM1MEN1
SCHEMBL17171708 0.80 DGKA (0.40) GAAKMT2AVCAM1

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-2016021315-A1 ANTIOXIDANT FOR THERMOPLASTIC RESIN AND THERMOPLASTIC RESIN COMPOSITION INCLUDING SAME 株式会社ADEKA 2016-02-11 — — WO disclosed
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