Sugi Predict

Sugi Predict / Compounds / SCHEMBL16391027

SCHEMBL16391027

SCHEMBL16391027

CCCCCC[C@H](C/C=C\CCCCCCCC(O)CCCCCCC/C=C\C[C@@H](CCCCCC)OC(C)=O)OC(C)=O

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 2/20 0.57
▸ FFAR4 Q5NUL3 2/20 0.57
▸ TRPV1 Q8NER1 2/20 0.51
▸ FAAH O00519 2/20 0.50
▸ PRKCA P17252 1/20 0.45
▸ NFKB1 P19838 1/20 0.45
▸ NFKB2 Q00653 1/20 0.45
▸ RELA Q04206 1/20 0.45
▸ DGKA P23743 1/20 0.43

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
SCHEMBL17743904 1.00 FFAR1 (0.57) FFAR1FFAR4TRPV1FAAHPRKCA
SCHEMBL17743907 1.00 FFAR1 (0.57) FFAR1FFAR4TRPV1FAAHPRKCA
SCHEMBL17743818 1.00 FFAR1 (0.57) FFAR1FFAR4TRPV1FAAHPRKCA
SCHEMBL22274249 1.00 FFAR1 (0.57) FFAR1FFAR4TRPV1FAAHPRKCA
SCHEMBL17743902 1.00 FFAR1 (0.57) FFAR1FFAR4TRPV1FAAHPRKCA
SCHEMBL17743822 1.00 FFAR1 (0.57) FFAR1FFAR4TRPV1FAAHPRKCA
SCHEMBL17743820 1.00 FFAR1 (0.57) FFAR1FFAR4TRPV1FAAHPRKCA
SCHEMBL31628727 0.94 TRPV1 (0.54) FFAR1FFAR4TRPV1FAAHPRKCA
SCHEMBL830444 0.91 TRPV1 (0.52) FFAR1FFAR4TRPV1FAAHPRKCA
SCHEMBL7531489 0.91 TRPV1 (0.52) FFAR1FFAR4TRPV1FAAHPRKCA

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-2015005253-A1 NOVEL LIPID 第一三共株式会社 (JP) 2015-01-15 — — WO disclosed