SCHEMBL8985117

SCHEMBL8985117

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

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.38
PPARD Q03181 1/20 0.38
ZDHHC20 Q5W0Z9 1/20 0.38
ZDHHC2 Q9UIJ5 1/20 0.38
GPR84 Q9NQS5 7/20 0.36
FFAR1 O14842 1/20 0.36
MAPT P10636 1/20 0.35
ACE2 Q9BYF1 1/20 0.33
ALDH2 P05091 1/20 0.31
GRIK1 P39086 1/20 0.31
GRIK2 Q13002 1/20 0.31
ACE P12821 3/20 0.31
LTB4R Q15722 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31

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
SCHEMBL7293488 0.80 CA2 (0.39) GPR84FFAR1LTB4R
SCHEMBL8985079 0.79 GPR84 (0.32) LCKPPARDZDHHC20ZDHHC2GPR84
SCHEMBL8985039 0.79 GPR84 (0.32) LCKPPARDZDHHC20ZDHHC2GPR84
SCHEMBL9744651 0.78 ALDH1A1 (0.32) MAPT
SCHEMBL7326578 0.78 ALDH1A1 (0.38) LTB4R
SCHEMBL9803456 0.77 GLS2 (0.34) LTB4R
SCHEMBL9766908 0.77 ZDHHC7 (0.43)
SCHEMBL9677956 0.76
SCHEMBL9160196 0.76 FAAH (0.35) MAPTALDH2
SCHEMBL9128899 0.75 LMNA (0.38) MAPT

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-5541221-A Pharmaceutical compositions and method for administering 3 and 4-substituted 2(5H)-furanones to a mammal for inhibiting bone loss ALLERGAN (US) 1996-07-30 US disclosed