SCHEMBL14144643

SCHEMBL14144643

C/C=C\CCCC(O)CC

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.38
FFAR4 Q5NUL3 2/20 0.38
FAAH O00519 2/20 0.33
NFKB1 P19838 2/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
PPARG P37231 2/20 0.30
DGKA P23743 1/20 0.30
GPR132 Q9UNW8 1/20 0.30

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
SCHEMBL4432594 0.93 FFAR1 (0.44) FFAR1FFAR4FAAHNFKB1NFKB2
SCHEMBL4432589 0.93 FFAR1 (0.44) FFAR1FFAR4FAAHNFKB1NFKB2
SCHEMBL30774404 0.91 FFAR1 (0.46) FFAR1FFAR4FAAHPPARGGPR132
3-Octanol SCHEMBL29083521 0.88 FFAR1 (0.51) FFAR1FFAR4FAAHNFKB1NFKB2
SCHEMBL5214461 0.86
SCHEMBL5214456 0.86
SCHEMBL17238238 0.84 FFAR1 (0.44) FFAR1FFAR4FAAHNFKB1NFKB2
SCHEMBL5331866 0.84 FFAR1 (0.40) FFAR1FFAR4FAAHNFKB1NFKB2
SCHEMBL5331870 0.84 FFAR1 (0.40) FFAR1FFAR4FAAHNFKB1NFKB2
SCHEMBL7122504 0.82 THRB (0.40) FFAR1FFAR4FAAHDGKA

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
EP-1939183-A1 NOVEL NITROGENATED HETEROCYCLIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2008-07-02 EP disclosed