SCHEMBL14972500

SCHEMBL14972500

CCCCC/C=C/C=C/C(=O)N[C@@H](C)C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FAAH O00519 6/20 0.68
CNR1 P21554 3/20 0.61
CNR2 P34972 3/20 0.61
SMN1; SMN2 Q16637 1/20 0.56
SLC6A5 Q9Y345 1/20 0.56
KDM4E B2RXH2 1/20 0.49
FASN P49327 1/20 0.49

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
SCHEMBL9650039 0.97 FAAH (0.68) FAAHCNR1CNR2SMN1; SMN2SLC6A5
SCHEMBL9649958 0.97 FAAH (0.68) FAAHCNR1CNR2SMN1; SMN2SLC6A5
SCHEMBL9649967 0.97 FAAH (0.68) FAAHCNR1CNR2SMN1; SMN2SLC6A5
SCHEMBL9650046 0.97 FAAH (0.68) FAAHCNR1CNR2SMN1; SMN2SLC6A5
SCHEMBL31026959 0.97 FAAH (0.68) FAAHCNR1CNR2SMN1; SMN2SLC6A5
SCHEMBL10956216 0.88 FAAH (0.62) FAAHCNR1CNR2SMN1; SMN2SLC6A5
SCHEMBL10951078 0.88 FAAH (0.62) FAAHCNR1CNR2SMN1; SMN2SLC6A5
SCHEMBL2190885 0.88 FAAH (0.62) FAAHCNR1CNR2SMN1; SMN2SLC6A5
SCHEMBL17556080 0.86 CNR1 (0.66) FAAHCNR1CNR2KDM4EFASN
SCHEMBL1917360 0.86 CNR1 (0.66) FAAHCNR1CNR2KDM4EFASN

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
EP-2597082-A1 Compounds for masking an unpleasant taste Symrise AG (DE) 2013-05-29 EP claimed
EP-2597082-A1 Compounds for masking an unpleasant taste Symrise AG (DE) 2013-05-29 EP disclosed