Sugi Predict

Sugi Predict / Compounds / SCHEMBL17546489

SCHEMBL17546489

SCHEMBL17546489

CC(C)(C)OC(=O)Oc1c(C(C)(C)C)cc(CCC(=O)OC2C(OC(=O)CCc3cc(C(C)(C)C)c(OC(=O)OC(C)(C)C)c(C(C)(C)C)c3)C(OC(=O)CCc3cc(C(C)(C)C)c(OC(=O)OC(C)(C)C)c(C(C)(C)C)c3)C(OC(=O)CCc3cc(C(C)(C)C)c(OC(=O)OC(C)(C)C)c(C(C)(C)C)c3)C(OC(=O)CCc3cc(C(C)(C)C)c(OC(=O)OC(C)(C)C)c(C(C)(C)C)c3)C2OC(=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 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ VCAM1 P19320 11/20 0.41
▸ GAA P10253 3/20 0.37
▸ KMT2A Q03164 2/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ ELANE P08246 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
SCHEMBL17171777 0.93 VCAM1 (0.37) VCAM1GAAKMT2AMEN1
SCHEMBL17171725 0.87 VCAM1 (0.51) VCAM1GAAKMT2AMEN1
SCHEMBL17171775 0.85 TMPRSS2 (0.36) VCAM1KMT2AMEN1ELANE
SCHEMBL16790504 0.85 VCAM1 (0.38) VCAM1GAAKMT2AMEN1ELANE
SCHEMBL17171730 0.85 CYP4F2 (0.43) VCAM1GAAKMT2A
SCHEMBL19114595 0.84 VCAM1 (0.46) VCAM1GAAKMT2A
SCHEMBL18950885 0.84 GAA (0.40) VCAM1GAAKMT2AMEN1ELANE
SCHEMBL17171726 0.84 VCAM1 (0.38) VCAM1GAAKMT2A
SCHEMBL19114979 0.83 GAA (0.43) VCAM1GAAKMT2AMEN1ELANE
SCHEMBL17546542 0.82 GAA (0.39) VCAM1GAAKMT2A

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 3 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
WO-2016021315-A1 ANTIOXIDANT FOR THERMOPLASTIC RESIN AND THERMOPLASTIC RESIN COMPOSITION INCLUDING SAME 株式会社ADEKA 2016-02-11 — — WO disclosed
Send feedback