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SCHEMBL19103203

SCHEMBL19103203

CC(C)(C)OC(=O)Oc1c(C(C)(C)C)cc(CCC(=O)OCCSCCOC(=O)CCc2cc(C(C)(C)C)c(OC(=O)OC(C)(C)C)c(C(C)(C)C)c2)cc1C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ VCAM1 P19320 11/20 0.38
▸ TDP1 Q9NUW8 1/20 0.35
▸ GAA P10253 2/20 0.34
▸ APP P05067 2/20 0.33
▸ ALOX5 P09917 1/20 0.33
▸ KMT2A Q03164 1/20 0.33

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
SCHEMBL17171726 0.89 VCAM1 (0.38) VCAM1TDP1GAAAPPALOX5
SCHEMBL17546542 0.88 GAA (0.39) VCAM1TDP1GAAAPPALOX5
SCHEMBL17171727 0.88 VCAM1 (0.39) VCAM1TDP1GAAAPPALOX5
SCHEMBL19103204 0.87 VCAM1 (0.36) VCAM1TDP1GAAAPPALOX5
SCHEMBL17171730 0.85 CYP4F2 (0.43) VCAM1GAAKMT2A
SCHEMBL16790504 0.85 VCAM1 (0.38) VCAM1GAAKMT2A
SCHEMBL17176996 0.84 GAA (0.39) VCAM1TDP1GAAAPPALOX5
SCHEMBL17171708 0.84 DGKA (0.40) VCAM1GAAKMT2A
SCHEMBL26212829 0.84 ALOX5 (0.41) VCAM1TDP1GAAAPPALOX5
SCHEMBL17546596 0.83 VCAM1 (0.34) VCAM1TDP1GAAAPPALOX5

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
US-20170198117-A1 ANTIOXIDANT FOR THERMOPLASTIC RESIN AND THERMOPLASTIC RESIN COMPOSITION CONTAINING SAME ADEKA CORPORATION (JP) 2017-07-13 — — US disclosed
US-20170198117-A1 ANTIOXIDANT FOR THERMOPLASTIC RESIN AND THERMOPLASTIC RESIN COMPOSITION CONTAINING SAME ADEKA CORPORATION (JP) 2017-07-13 — — US disclosed
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