SCHEMBL19114979

SCHEMBL19114979

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

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 3/20 0.43
▸ NR1H2 P55055 1/20 0.41
▸ NR1H3 Q13133 1/20 0.41
▸ VCAM1 P19320 11/20 0.38
▸ KMT2A Q03164 2/20 0.37
▸ ELANE P08246 1/20 0.35
▸ MEN1 O00255 1/20 0.34

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
SCHEMBL18950885 0.87 GAA (0.40) GAAVCAM1KMT2AELANEMEN1
SCHEMBL19114595 0.87 VCAM1 (0.46) GAANR1H2NR1H3VCAM1KMT2A
SCHEMBL17171725 0.85 VCAM1 (0.51) GAAVCAM1KMT2AMEN1
SCHEMBL16790544 0.85 GAA (0.48) GAANR1H2VCAM1KMT2AMEN1
SCHEMBL18950887 0.84 GAA (0.47) GAANR1H2VCAM1KMT2AMEN1
SCHEMBL17546489 0.83 VCAM1 (0.41) GAAVCAM1KMT2AELANEMEN1
SCHEMBL17171730 0.83 CYP4F2 (0.43) GAAVCAM1KMT2A
SCHEMBL16790504 0.83 VCAM1 (0.38) GAAVCAM1KMT2AELANEMEN1
SCHEMBL19293706 0.82 VCAM1 (0.41) VCAM1ELANE
SCHEMBL17546516 0.82 VCAM1 (0.40) GAAVCAM1KMT2A

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
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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