SCHEMBL28860419

SCHEMBL28860419

C=CC(=O)Oc1ccc2c3c(c(C(=O)CC)c(C(=O)CC)c(C)c13)C(=O)OC2=O

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TYMS P04818 3/20 0.45
▸ THRB P10828 3/20 0.34
▸ THRA P10827 1/20 0.34
▸ CA9 Q16790 3/20 0.33
▸ GAA P10253 1/20 0.32
▸ KMT2A Q03164 1/20 0.32

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
SCHEMBL27947897 0.76 TYMS (0.50) TYMSTHRBTHRAKMT2A
SCHEMBL27929954 0.73 THRB (0.37) TYMSTHRBTHRACA9GAA
SCHEMBL27372063 0.69 TYMS (0.38) TYMSTHRBTHRACA9
SCHEMBL966421 0.67 TYMS (0.57) TYMSTHRBTHRAKMT2A
SCHEMBL29445347 0.67 TYMS (0.57) TYMSTHRBTHRAKMT2A
SCHEMBL28200400 0.67 TYMS (0.41) TYMSTHRBTHRAKMT2A
SCHEMBL13899925 0.65 TYMS (0.52) TYMSTHRBTHRACA9KMT2A
SCHEMBL10824308 0.63 THRB (0.54) THRBTHRAKMT2A
Phthalic Anhydride SCHEMBL28071869 0.63 ALDH1A1 (0.55) TYMSTHRBKMT2A
SCHEMBL27818668 0.61 ALDH1A1 (0.43) TYMSTHRBCA9GAAKMT2A

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
CN-108024913-A Curable composition, curable composition for dentistry, and organic-inorganic composite particle for dentistry 德山齿科株式会社 2018-05-11 — — CN disclosed
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