SCHEMBL21569610

SCHEMBL21569610

C=CC(=O)OCC(COCCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COC(=O)C=C)COC(=O)C=C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 6/20 0.48
▸ THRB P10828 1/20 0.47
▸ ALDH1A1 P00352 6/20 0.40
▸ HIF1A Q16665 5/20 0.40
▸ TP53 P04637 4/20 0.40
▸ CYP3A4 P08684 3/20 0.40
▸ MAPK1 P28482 3/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ KMT2A Q03164 4/20 0.39
▸ TSHR P16473 5/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ NPSR1 Q6W5P4 3/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ BLM P54132 2/20 0.39
▸ ATM Q13315 2/20 0.39
▸ USP2 O75604 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.36
▸ GPR55 Q9Y2T6 2/20 0.35

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
SCHEMBL5412953 0.86 GAA (0.56) GAATHRBALDH1A1HIF1ATP53
SCHEMBL21569615 0.83 THRB (0.41) GAATHRBALDH1A1HIF1ATP53
SCHEMBL10651744 0.81 GAA (0.60) GAATHRBALDH1A1HIF1ATP53
SCHEMBL2265057 0.80 GAA (0.55) GAAALDH1A1HIF1ATP53CYP3A4
SCHEMBL11308351 0.80 GAA (0.49) GAATHRBALDH1A1HIF1ATP53
SCHEMBL15437699 0.80 GAA (0.59) GAATHRBALDH1A1HIF1ATP53
SCHEMBL11668133 0.79 GAA (0.55) GAATHRBALDH1A1HIF1ATP53
SCHEMBL2612492 0.79 GAA (0.51) GAATHRBALDH1A1HIF1ATP53
SCHEMBL19663372 0.79 GAA (0.50) GAAALDH1A1HIF1ATP53CYP3A4
SCHEMBL11653541 0.79 ALDH1A1 (0.50) GAATHRBALDH1A1HIF1ATP53

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
WO-2019216266-A1 COMPOUND, LATENT ADDITIVE, COMPOSITION, CURED PRODUCT, METHOD FOR PRODUCING CURED PRODUCT, AND METHOD FOR PRODUCING COMPOSITION 株式会社ADEKA (JP) 2019-11-14 — — WO disclosed
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