SCHEMBL16689752

SCHEMBL16689752

CC/C=C\CC(O)CCC

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
FPR2 P25090 1/20 0.37
GRIK1 P39086 2/20 0.34
GRIK2 Q13002 2/20 0.34
FAAH O00519 2/20 0.34
LMNA P02545 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
SCHEMBL26090815 1.00 FFAR1 (0.40) FFAR1FFAR4NFKB1NFKB2RELA
SCHEMBL19628509 1.00 FFAR1 (0.40) FFAR1FFAR4NFKB1NFKB2RELA
SCHEMBL28180461 0.86 FFAR1 (0.49) FFAR1FFAR4NFKB1NFKB2RELA
SCHEMBL26090214 0.84 FFAR1 (0.56) FFAR1FFAR4NFKB1NFKB2RELA
SCHEMBL26092590 0.84 FFAR1 (0.56) FFAR1FFAR4NFKB1NFKB2RELA
SCHEMBL30350920 0.84 GRIK1 (0.39) FFAR1FFAR4NFKB1NFKB2RELA
SCHEMBL26093414 0.84 GRIK1 (0.39) FFAR1FFAR4NFKB1NFKB2RELA
SCHEMBL3030897 0.83 THRB (0.42) FFAR1FFAR4NFKB1NFKB2RELA
SCHEMBL15288651 0.83 THRB (0.42) FFAR1FFAR4NFKB1NFKB2RELA
SCHEMBL3345579 0.83 THRB (0.42) FFAR1FFAR4NFKB1NFKB2RELA

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
US-9719115-B2 Method for producing oxo fatty acid and rare fatty acid KYOTO UNIVERSITY (JP) 2017-08-01 US disclosed
US-20150125911-A1 METHOD FOR PRODUCING OXO FATTY ACID AND RARE FATTY ACID NOSTER INC. (JP) 2015-05-07 US disclosed