SCHEMBL18950887

SCHEMBL18950887

CNC(=O)CCc1cc(C(C)(C)C)c(OC(=O)OC(C)(C)C)c(C(C)(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 4/20 0.47
▸ KMT2A Q03164 3/20 0.44
▸ NR1H2 P55055 2/20 0.43
▸ PCNA P12004 1/20 0.41
▸ VCAM1 P19320 7/20 0.39
▸ HSD17B1 P14061 1/20 0.38
▸ HSD17B2 P37059 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ AGTR1 P30556 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL16790544 0.91 GAA (0.48) GAAKMT2ANR1H2VCAM1MEN1
SCHEMBL17176940 0.86 GAA (0.44) GAAKMT2ANR1H2VCAM1MEN1
SCHEMBL18950793 0.86 GAA (0.53) GAAKMT2AMEN1LMNA
SCHEMBL17171725 0.85 VCAM1 (0.51) GAAKMT2AVCAM1MEN1
SCHEMBL17546523 0.85 GAA (0.43) GAAKMT2ANR1H2VCAM1MEN1
SCHEMBL17176997 0.85 GAA (0.52) GAAKMT2AMEN1LMNA
SCHEMBL18950885 0.85 GAA (0.40) GAAKMT2AVCAM1MEN1ALDH1A1
SCHEMBL19114595 0.85 VCAM1 (0.46) GAAKMT2ANR1H2VCAM1
SCHEMBL19114979 0.84 GAA (0.43) GAAKMT2ANR1H2VCAM1MEN1
SCHEMBL19293706 0.83 VCAM1 (0.41) VCAM1

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