SCHEMBL9326362

SCHEMBL9326362

CCCCCCCCCCCC(=O)OC(CNC(=O)CCCCCCCCCC)c1coc([Si](CC)(CC)CC)c1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ASAH1 Q13510 1/20 0.41
LMNA P02545 2/20 0.36
FAAH O00519 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
EPHX2 P34913 4/20 0.35
ELANE P08246 2/20 0.34
TRPV1 Q8NER1 1/20 0.34

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
SCHEMBL9128899 0.84 LMNA (0.38) LMNAFAAHMAPTMAPK1ELANE
SCHEMBL9326237 0.84 ASAH1 (0.57) ASAH1FAAHEPHX2TRPV1
SCHEMBL9328130 0.82 PRKCA (0.42) LMNAMAPTMAPK1ELANE
SCHEMBL9326797 0.82 ASAH1 (0.44) ASAH1FAAHMAPTMAPK1EPHX2
SCHEMBL9159891 0.80 FAAH (0.35) FAAHMAPTELANE
SCHEMBL9160196 0.80 FAAH (0.35) FAAHMAPTELANE
SCHEMBL8985142 0.80 FFAR4 (0.36) LMNAMAPTMAPK1
SCHEMBL8985104 0.78 LMNA (0.36) LMNAMAPTMAPK1ELANE
SCHEMBL9326199 0.78 PRKCA (0.46) LMNAMAPTELANE
SCHEMBL9735386 0.78 PRKCA (0.46) LMNAMAPTELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5322953-A Antiinflammatory agents; intermediates for 2-furanone compounds ALLERGAN, INC. (US) 1994-06-21 US disclosed
US-5298633-A Silane intermediates ALLERGAN, INC. (US) 1994-03-29 US disclosed
US-5212172-A 4-(1-hydroxy-2-substituted amino)ethyl-5-hydroxy-2(5H)-furanones as anti-inflammatory agents ALLERGAN, INC. (US) 1993-05-18 US disclosed
US-5171863-A 2-trialkylsily-4-substituted furan derivatives ALLERGAN, INC. (US) 1992-12-15 US disclosed
US-5082954-A Intermediates and processes for preparing 4-substituted 2-5(H)-furanones as anti-inflammatory agents ALLERGAN, INC. (US) 1992-01-21 US disclosed
US-5081147-A 4-(1-hydroxy-2-substituted amino)ethyl-5-hydroxy-2(5H)-furanones as anti-inflammatory agents ALLERGAN, INC. (US) 1992-01-14 US disclosed