SCHEMBL8587178

SCHEMBL8587178

CCCCCCCCCC(CCCCCCCC(=O)O)NC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PYGB P11216 3/20 0.49
SELL P14151 3/20 0.48
SELP P16109 3/20 0.48
SELE P16581 3/20 0.48
GAA P10253 1/20 0.45
EPHX2 P34913 1/20 0.44
FFAR4 Q5NUL3 2/20 0.43
FFAR1 O14842 2/20 0.43
PLA2G2C Q5R387 1/20 0.41
PLA2G10 O15496 1/20 0.41
PPARG P37231 5/20 0.41
PPARD Q03181 5/20 0.41
PPARA Q07869 5/20 0.41
HDAC11 Q96DB2 4/20 0.41
TSHR P16473 3/20 0.41
GPR84 Q9NQS5 3/20 0.41
ALDH1A1 P00352 2/20 0.41
TLR2 O60603 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
FABP4 P15090 2/20 0.41

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
SCHEMBL8584488 1.00 PYGB (0.49) PYGBSELLSELPSELEGAA
SCHEMBL8586585 0.88 PYGB (0.47) PYGBSELLSELPSELEGAA
Palmitic Acid SCHEMBL28863897 0.83 PYGB (0.46) PYGBSELLSELPSELEGAA
Dodecanoate SCHEMBL2695176 0.79 GPR84 (0.53) PYGBFFAR4FFAR1PPARGPPARD
Dodecanoate SCHEMBL4170814 0.79 GPR84 (0.53) PYGBFFAR4FFAR1PPARGPPARD
SCHEMBL22692620 0.79 MAPK1 (0.58) PYGBGAAEPHX2ALDH1A1
SCHEMBL5494068 0.78 PYGB (0.47) PYGBGAAEPHX2
SCHEMBL5494071 0.78 PYGB (0.47) PYGBGAAEPHX2
SCHEMBL3792192 0.76 PYGB (0.78) PYGBGAAEPHX2
SCHEMBL534896 0.76 PYGB (0.78) PYGBGAAEPHX2

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
WO-1998034943-A1 SURFACTANT AMINES AND GLYCOSIDES INSTITUUT VOOR AGROTECHNILOGISCH ONDERZOEK (ATO-DLO) (NL) 1998-08-13 WO disclosed