SCHEMBL28707355

SCHEMBL28707355

CC(O)[N+](C)(C)C.CCCCCCCCCCCCCCCCC(O[Si](C)(C)C(C)(C)C)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 7/20 0.41
FFAR1 O14842 2/20 0.41
ACE2 Q9BYF1 1/20 0.38
FAAH O00519 1/20 0.37
MAPT P10636 1/20 0.36
LCK P06239 1/20 0.36
PPARD Q03181 1/20 0.36
ZDHHC20 Q5W0Z9 1/20 0.36
ZDHHC2 Q9UIJ5 1/20 0.36
CA2 P00918 1/20 0.36
GRIK1 P39086 2/20 0.35
GRIK2 Q13002 2/20 0.35
FFAR4 Q5NUL3 1/20 0.35
PSMD14 O00487 1/20 0.35
PLA2G1B P04054 1/20 0.35
MMP2 P08253 1/20 0.35
RAD52 P43351 1/20 0.35
ATG4B Q9Y4P1 1/20 0.35
CA1 P00915 1/20 0.34
SLC1A2 P43004 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
SCHEMBL9842167 0.90 GPR84 (0.44) GPR84FFAR1ACE2MAPTLCK
SCHEMBL19475644 0.88 FFAR1 (0.47) GPR84FFAR1ACE2FAAHMAPT
SCHEMBL19475641 0.88 FFAR1 (0.47) GPR84FFAR1ACE2FAAHMAPT
SCHEMBL10420255 0.85 FFAR1 (0.47) GPR84FFAR1ACE2FAAHMAPT
Choline SCHEMBL28707352 0.85 PSMD14 (0.42) GPR84FFAR1ACE2MAPTLCK
SCHEMBL4855121 0.78 CHRM1 (0.39) CA2GRIK1GRIK2SLC1A2SLC1A1
SCHEMBL4855136 0.78 CHRM1 (0.39) CA2GRIK1GRIK2SLC1A2SLC1A1
SCHEMBL16145708 0.78 GPR84 (0.41) GPR84FFAR1ACE2MAPTLCK
SCHEMBL1667148 0.77 CA2 (0.40) GPR84FFAR1MAPTLCKPPARD
SCHEMBL6517447 0.77 FAAH (0.36) GPR84FFAR1FAAHMAPTLCK

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
CN-114075236-B Foamless silicon branched fatty acid ionic liquid surfactant and preparation method thereof 江南大学 2022-10-18 CN disclosed
CN-114075236-A Foamless silicon branched fatty acid ionic liquid surfactant and preparation method thereof 江南大学 2022-02-22 CN disclosed