SCHEMBL30256385

SCHEMBL30256385

CC(C)(C)c1cc(CC(CCSCCC(Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C(=O)O)C(=O)O)cc(C(C)(C)C)c1O.CC(C)(C)c1cc(CCC(=O)OCCSCCOC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.41
ALOX5 P09917 3/20 0.39
PTGES O14684 2/20 0.39
PPARG P37231 2/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.38
HMGCR P04035 2/20 0.37
VCAM1 P19320 2/20 0.36
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
AGTR1 P30556 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 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
SCHEMBL5454749 0.90 PTGES (0.44) GAAALOX5PTGESPPARGKMT2A
SCHEMBL30165 0.87 GAA (0.52) GAAALOX5KMT2AMEN1VCAM1
Methane SCHEMBL9820093 0.85 GAA (0.51) GAAALOX5KMT2AMEN1VCAM1
SCHEMBL134694 0.85 HMGCR (0.44) GAAALOX5PTGESPPARGKMT2A
SCHEMBL31323984 0.85 HSPA5 (0.36) GAAALOX5PTGESPPARGKMT2A
SCHEMBL7151481 0.84 GAA (0.48) GAAALOX5KMT2AMEN1VCAM1
Methane SCHEMBL30445756 0.84 HMGCR (0.43) GAAALOX5PTGESPPARGKMT2A
SCHEMBL7865656 0.83 GAA (0.49) GAAALOX5KMT2AMEN1VCAM1
SCHEMBL29736888 0.83 GAA (0.43) GAAALOX5PTGESPPARGKMT2A
SCHEMBL9637935 0.83 VCAM1 (0.49) GAAKMT2AMEN1HMGCRVCAM1

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
CN-119505337-A Foam body 财团法人工业技术研究院 2025-02-25 CN disclosed
CN-115926470-B Curable composition and electronic device comprising same 财团法人工业技术研究院 2024-05-07 CN disclosed
CN-115926470-A Curable composition and electronic device comprising same 财团法人工业技术研究院 2023-04-07 CN disclosed