SCHEMBL17546596

SCHEMBL17546596

CC(C)(C)OC(=O)Oc1c(C(C)(C)C)cc(CCC(=O)OCCn2c(=O)n(CCOC(=O)CCc3cc(C(C)(C)C)c(OC(=O)OC(C)(C)C)c(C(C)(C)C)c3)c(=O)n(CCOC(=O)CCc3cc(C(C)(C)C)c(OC(=O)OC(C)(C)C)c(C(C)(C)C)c3)c2=O)cc1C(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ VCAM1 P19320 9/20 0.34
▸ GAA P10253 4/20 0.34
▸ POLB P06746 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ ALOX5 P09917 1/20 0.32
▸ APP P05067 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ MEN1 O00255 1/20 0.31

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 0.86 VCAM1 (0.38) VCAM1GAATDP1ALOX5APP
SCHEMBL17171727 0.85 VCAM1 (0.39) VCAM1GAATDP1ALOX5APP
SCHEMBL17546542 0.85 GAA (0.39) VCAM1GAATDP1ALOX5APP
SCHEMBL19103204 0.84 VCAM1 (0.36) VCAM1GAATDP1ALOX5APP
SCHEMBL19103203 0.83 VCAM1 (0.38) VCAM1GAATDP1ALOX5APP
SCHEMBL18950840 0.83 VCAM1 (0.30) VCAM1
SCHEMBL226400 0.83 GAA (0.49) GAAPOLBNPSR1TDP1ALOX5
SCHEMBL17171730 0.83 CYP4F2 (0.43) VCAM1GAAKMT2A
SCHEMBL16790504 0.83 VCAM1 (0.38) VCAM1GAAKMT2AMEN1
SCHEMBL17171708 0.81 DGKA (0.40) VCAM1GAAALDH1A1KMT2A

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 4 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
EP-3178905-A1 ANTIOXIDANT FOR THERMOPLASTIC RESIN AND THERMOPLASTIC RESIN COMPOSITION INCLUDING SAME Adeka Corporation (JP) 2017-06-14 — — EP disclosed
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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