SCHEMBL9326237

SCHEMBL9326237

CCCCCCCCCCC(=O)NCC(O)c1coc([Si](CC)(CC)CC)c1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ASAH1 Q13510 2/20 0.57
FAAH O00519 2/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
EPHX2 P34913 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
ALDH1A1 P00352 1/20 0.37
ACER2 Q5QJU3 1/20 0.37
CERT1 Q9Y5P4 3/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL9326797 0.86 ASAH1 (0.44) ASAH1FAAHEPHX2TRPV1ALDH1A1
SCHEMBL9326362 0.84 ASAH1 (0.41) ASAH1FAAHEPHX2TRPV1
SCHEMBL9327916 0.79 MAPT (0.47) ALDH1A1MEN1KMT2A
SCHEMBL9325277 0.78 EPHX2 (0.53) FAAHEPHX2TRPV1ALDH1A1
SCHEMBL8335749 0.73 ASAH1 (1.00) ASAH1FAAHNPC1RAB9ASMN1; SMN2
SCHEMBL9839348 0.71 HPGD (0.53) FAAHTRPV1MEN1KMT2A
SCHEMBL8776663 0.71 ASAH1 (0.87) ASAH1FAAHNPC1RAB9ASMN1; SMN2
SCHEMBL9160196 0.71 FAAH (0.35) FAAHALDH1A1
SCHEMBL8985104 0.70 LMNA (0.36) ALDH1A1
SCHEMBL9744651 0.70 ALDH1A1 (0.32) ALDH1A1

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