SCHEMBL9033731

SCHEMBL9033731

CCCCCCCCCCCCCCCCCC(O[Si](C)(C)C(C)(C)C)[C@@H](C)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.41
GPR84 Q9NQS5 7/20 0.41
FFAR1 O14842 1/20 0.41
MAPT P10636 1/20 0.40
LCK P06239 1/20 0.40
PPARD Q03181 1/20 0.40
ZDHHC20 Q5W0Z9 1/20 0.40
ZDHHC2 Q9UIJ5 1/20 0.40
GRIK1 P39086 2/20 0.39
GRIK2 Q13002 2/20 0.39
FAAH O00519 1/20 0.38
SLC1A2 P43004 1/20 0.36
SLC1A1 P43005 1/20 0.36
HSPD1 P10809 1/20 0.36
BLM P54132 1/20 0.36
HSPE1 P61604 1/20 0.36
MEN1 O00255 1/20 0.36
HPGD P15428 1/20 0.36
RECQL P46063 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
SCHEMBL11899433 0.81 SPHK1 (0.38) GPR84FFAR1FAAHCA2
SCHEMBL1741180 0.81 SPHK1 (0.38) GPR84FFAR1FAAHCA2
SCHEMBL9842167 0.80 GPR84 (0.44) ACE2GPR84FFAR1MAPTLCK
SCHEMBL22552651 0.80 GRN (0.30)
SCHEMBL22552650 0.80 GRN (0.30)
SCHEMBL8431963 0.80 GRIK1 (0.38) ACE2GPR84FFAR1MAPTLCK
SCHEMBL9264218 0.80 GPR84 (0.40) ACE2GPR84FFAR1MAPTLCK
SCHEMBL9032097 0.80 GPR84 (0.40) ACE2GPR84FFAR1MAPTLCK
SCHEMBL1741163 0.80 SPHK1 (0.35) GPR84FFAR1FAAHCA2
SCHEMBL8896939 0.79 FFAR1 (0.40) FFAR1MAPTPPARDFAAHBLM

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
EP-0444482-B1 Oxetanones HOFFMANN LA ROCHE (CH) 1996-01-17 EP disclosed
EP-0444482-A2 Oxetanones F. HOFFMANN-LA ROCHE AG (CH) 1991-09-04 EP disclosed