SCHEMBL9216934

SCHEMBL9216934

CCCCCC[C@@H](O)C/C=C\CCCCCCCC(=O)N[C](C)CCC

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.68
FFAR1 O14842 1/20 0.66
FFAR4 Q5NUL3 1/20 0.66
TRPV1 Q8NER1 1/20 0.51
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
DEGS1 O15121 1/20 0.48
SLC6A5 Q9Y345 1/20 0.46
ASAH2 Q9NR71 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45
CETP P11597 2/20 0.45
EPHX2 P34913 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL518339 0.91 FAAH (0.76) FAAHFFAR1FFAR4TRPV1NFKB1
SCHEMBL874475 0.85 FAAH (0.80) FAAHFFAR1FFAR4TRPV1NFKB1
SCHEMBL20391786 0.84 FAAH (0.74) FAAHFFAR1FFAR4TRPV1NFKB1
SCHEMBL1999123 0.84 FAAH (0.65) FAAHFFAR1FFAR4DEGS1SLC6A5
SCHEMBL20580096 0.84 FAAH (0.65) FAAHFFAR1FFAR4DEGS1SLC6A5
SCHEMBL11778109 0.83 FAAH (0.81) FAAHFFAR1FFAR4TRPV1NFKB1
SCHEMBL5516943 0.83 FAAH (0.73) FAAHFFAR1FFAR4TRPV1NFKB1
SCHEMBL395759 0.83 FAAH (0.81) FAAHFFAR1FFAR4TRPV1SLC6A5
SCHEMBL15006956 0.83 FAAH (0.81) FAAHFFAR1FFAR4TRPV1SLC6A5
SCHEMBL13352197 0.83 FFAR1 (0.78) FAAHFFAR1FFAR4NFKB1NFKB2

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-0511652-B1 Hair shampoo composition to impart improved hair conditioning properties CURTIS HELENE IND INC (US) 1995-11-29 EP claimed