SCHEMBL28453064

SCHEMBL28453064

C=C(C)C(=O)C(CCCCC(N)CCCC)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
SLC1A2 P43004 2/20 0.41
SLC1A1 P43005 2/20 0.41
SLC1A3 P43003 1/20 0.41
S1PR2 O95136 5/20 0.40
S1PR1 P21453 5/20 0.40
S1PR3 Q99500 5/20 0.40
S1PR4 O95977 4/20 0.40
GRIK1 P39086 2/20 0.40
GRIK2 Q13002 2/20 0.40
CA2 P00918 2/20 0.39
MAPK1 P28482 1/20 0.39
GPR84 Q9NQS5 3/20 0.38
FFAR1 O14842 1/20 0.38
MAPT P10636 1/20 0.37
LCK P06239 1/20 0.37
PPARD Q03181 1/20 0.37
ZDHHC20 Q5W0Z9 1/20 0.37
ZDHHC2 Q9UIJ5 1/20 0.37

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
SCHEMBL28519966 0.93 ALDH1A1 (0.53) ALDH1A1SLC1A2SLC1A1SLC1A3S1PR2
SCHEMBL28688047 0.90 ALDH1A1 (0.49) ALDH1A1SLC1A2SLC1A1SLC1A3S1PR2
SCHEMBL5830000 0.89 CA2 (0.47) SLC1A2SLC1A1SLC1A3CA2MAPK1
SCHEMBL28675100 0.87 ALDH1A1 (0.41) ALDH1A1SLC1A2SLC1A1S1PR2S1PR1
SCHEMBL9132316 0.86 GPR84 (0.52) GRIK1GRIK2CA2GPR84FFAR1
SCHEMBL15463418 0.84 GRIK1 (0.47) ALDH1A1SLC1A2SLC1A1SLC1A3S1PR2
SCHEMBL28666825 0.83 ALDH1A1 (0.43) ALDH1A1SLC1A2SLC1A1SLC1A3GRIK1
SCHEMBL5678264 0.79 GSR (0.48) ALDH1A1
SCHEMBL17335976 0.77 CPB2 (0.47) ALDH1A1
SCHEMBL17335986 0.77 CPB2 (0.47) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111587088-A Stomach resident electronic device 麻省理工学院 2020-08-25 CN disclosed