SCHEMBL9736017

SCHEMBL9736017

CCCCCCCCCCCCC(=O)OCC(O)c1coc([Si](CC)(CC)CC)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.47
LMNA P02545 2/20 0.45
KDM4E B2RXH2 1/20 0.45
DUSP3 P51452 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ALDH1A1 P00352 1/20 0.43
ELANE P08246 3/20 0.42
LPAR6 P43657 1/20 0.41
LPAR1 Q92633 1/20 0.41
LPAR4 Q99677 1/20 0.41
LPAR5 Q9H1C0 1/20 0.41
LPAR2 Q9HBW0 1/20 0.41
LPAR3 Q9UBY5 1/20 0.41
ENPP2 Q13822 1/20 0.41
HSPD1 P10809 1/20 0.41
HSPE1 P61604 1/20 0.41
TST Q16762 1/20 0.41
RECQL P46063 1/20 0.41
BLM P54132 1/20 0.41

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
SCHEMBL9327916 1.00 MAPT (0.47) MAPTLMNAKDM4EDUSP3MEN1
SCHEMBL9326199 0.84 PRKCA (0.46) MAPTLMNAKDM4EDUSP3MEN1
SCHEMBL9128899 0.77 LMNA (0.38) MAPTLMNAALDH1A1ELANEPRKCA
SCHEMBL9326714 0.77 LMNA (0.49) MAPTLMNAKDM4EDUSP3MEN1
SCHEMBL9326362 0.75 ASAH1 (0.41) MAPTLMNAELANE
SCHEMBL9744651 0.72 ALDH1A1 (0.32) MAPTALDH1A1ELANE
SCHEMBL6909304 0.72 ASAH1 (0.56) MAPTLMNAKDM4EDUSP3MEN1
SCHEMBL9803456 0.71 GLS2 (0.34) ALDH1A1
SCHEMBL11201945 0.70 MAPT (0.71) MAPTLMNAKDM4EDUSP3MEN1
SCHEMBL22855717 0.70 MAPT (0.71) MAPTLMNAKDM4EDUSP3MEN1

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-5134128-A Immunosuppressive and antiproliferative activity for psoriasis and calcium homeostasis ALLERGAN, INC. (US) 1992-07-28 US disclosed
EP-0372941-A2 Anti-inflammatory 5-hydroxy-2-furanones ALLERGAN, INC (US) 1990-06-13 EP disclosed