SCHEMBL9766947

SCHEMBL9766947

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

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 7/20 0.42
S1PR2 O95136 1/20 0.36
S1PR1 P21453 1/20 0.36
MMP9 P14780 3/20 0.35
MMP2 P08253 2/20 0.35
MMP12 P39900 2/20 0.35
FFAR1 O14842 2/20 0.35
FFAR4 Q5NUL3 1/20 0.35
CYSLTR2 Q9NS75 1/20 0.34
CYSLTR1 Q9Y271 1/20 0.34
LTB4R Q15722 3/20 0.34
MMP8 P22894 1/20 0.34
MMP13 P45452 1/20 0.34
MAPT P10636 1/20 0.33

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
SCHEMBL9671527 0.79 CA2 (0.40) GPR84S1PR2S1PR1FFAR1CYSLTR2
SCHEMBL9671129 0.79 CA2 (0.40) GPR84S1PR2S1PR1FFAR1CYSLTR2
SCHEMBL7301168 0.79 CA2 (0.40) GPR84S1PR2S1PR1FFAR1CYSLTR2
SCHEMBL9838027 0.78 HDAC1 (0.32)
Benzene SCHEMBL9326381 0.76 ALDH1A1 (0.36) GPR84LTB4R
SCHEMBL9670950 0.75 GLS2 (0.35) LTB4R
SCHEMBL7295059 0.75 GLS2 (0.35) LTB4R
SCHEMBL9326264 0.75 MMP2 (0.36) MMP9MMP2
SCHEMBL9325034 0.75 GLS2 (0.35) LTB4R
SCHEMBL9671037 0.75 GLS2 (0.35) LTB4R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5013850-A 4-ethyl and 4-ethenyl-5-hydroxy-2(5H)-furanones substituted on alpha carbon of the ethyl or ethenyl side chain with a long chain alkyl group and on the beta carbon with a polar group, as anti-inflammatory agents ALLERGAN, INC. (US) 1991-05-07 US disclosed