SCHEMBL9400102

SCHEMBL9400102

C=CC(=O)OCC(CC)(COC(=O)CCSc1cc(C)c(N)c(C(C)(C)C)c1)COC(=O)CCSc1cc(C)c(N)c(C(C)(C)C)c1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.39
▸ ALDH1A1 P00352 4/20 0.33
▸ TP53 P04637 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ MAPT P10636 3/20 0.32
▸ HPGD P15428 2/20 0.32
▸ L3MBTL1 Q9Y468 2/20 0.32
▸ GAA P10253 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ POLB P06746 1/20 0.31

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
SCHEMBL9399938 0.92 MAPT (0.37) ALDH1A1MAPK1SMN1; SMN2MAPTHPGD
SCHEMBL9399421 0.86 ALDH1A1 (0.39) THRBALDH1A1CYP3A4MAPK1MAPT
SCHEMBL9399916 0.79 ALDH1A1 (0.35) THRBALDH1A1MAPK1MAPTHPGD
SCHEMBL9400123 0.77 PTGS1 (0.46) ALDH1A1MAPK1MAPTHPGDL3MBTL1
SCHEMBL13324353 0.71 THRB (0.53) THRBALDH1A1TP53CYP3A4MAPK1
SCHEMBL6742403 0.70 THRB (0.64) THRBALDH1A1TP53CYP3A4MAPK1
SCHEMBL14015781 0.69 THRB (0.57) THRBALDH1A1TP53CYP3A4MAPK1
SCHEMBL1562777 0.69 THRB (0.66) THRBALDH1A1TP53CYP3A4MAPK1
SCHEMBL13801183 0.69 THRB (0.57) THRBALDH1A1TP53CYP3A4MAPK1
SCHEMBL22861304 0.69 THRB (0.57) THRBALDH1A1TP53CYP3A4MAPK1

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
US-5145970-A Oil additives CIBA-GEIGY CORPORATION (US) 1992-09-08 — — US claimed
US-5321067-A Oxidation, heat resistance CIBA-GEIGY CORPORATION (US) 1994-06-14 — — US disclosed
US-5145970-A Oil additives CIBA-GEIGY CORPORATION (US) 1992-09-08 — — US disclosed
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