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SCHEMBL26490202

SCHEMBL26490202

CC(C)(C)c1cc(CCC(=O)OCCCCCCOC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)ccc1O

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 2/20 0.52
▸ GAA P10253 5/20 0.47
▸ KMT2A Q03164 3/20 0.44
▸ ALOX5 P09917 1/20 0.42
▸ MEN1 O00255 2/20 0.40
▸ YWHAG P61981 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ AGTR1 P30556 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL30077254 0.95 APP (0.57) APPGAAALOX5YWHAGTDP1
SCHEMBL5527871 0.95 APP (0.57) APPGAAALOX5YWHAGTDP1
SCHEMBL753935 0.91 GAA (0.55) APPGAAKMT2AALOX5MEN1
SCHEMBL10458974 0.91 GAA (0.55) APPGAAKMT2AALOX5MEN1
SCHEMBL20390738 0.91 GAA (0.55) APPGAAKMT2AALOX5MEN1
SCHEMBL7243879 0.91 GAA (0.55) APPGAAKMT2AALOX5MEN1
SCHEMBL20461221 0.91 GAA (0.55) APPGAAKMT2AALOX5MEN1
SCHEMBL30331 0.91 GAA (0.55) APPGAAKMT2AALOX5MEN1
SCHEMBL2184521 0.90 APP (0.52) APPGAA
SCHEMBL3468016 0.90 APP (0.52) APPGAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230323209-A1 LIQUID-CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2023-10-12 — — US disclosed
US-20230323209-A1 LIQUID-CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2023-10-12 — — US disclosed