SCHEMBL13795191

SCHEMBL13795191

C=CCN(C/C=C\CC/C=C\CC)C(=O)C1CC1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.35
ALDH1A1 P00352 3/20 0.33
SLC6A2 P23975 3/20 0.32
SLC6A4 P31645 3/20 0.32
DPP4 P27487 1/20 0.32
KMT2A Q03164 3/20 0.32
CYP19A1 P11511 2/20 0.32
RXRA P19793 2/20 0.32
PPARG P37231 2/20 0.32
OXER1 Q8TDS5 2/20 0.32
FFAR1 O14842 1/20 0.32
MAPT P10636 1/20 0.32
PTGS1 P23219 2/20 0.30
MEN1 O00255 1/20 0.30
F7 P08709 1/20 0.30
ADORA3 P0DMS8 1/20 0.30
F3 P13726 1/20 0.30
PPARD Q03181 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
SCHEMBL12512048 1.00 PPARA (0.35) PPARAALDH1A1SLC6A2SLC6A4DPP4
SCHEMBL13795195 0.87 ALDH1A1 (0.34) PPARAALDH1A1KMT2ACYP19A1RXRA
SCHEMBL13795131 0.87 ALDH1A1 (0.34) PPARAALDH1A1KMT2ACYP19A1RXRA
SCHEMBL13795858 0.87 TOP1 (0.41) PPARAALDH1A1SLC6A2KMT2ACYP19A1
SCHEMBL12511447 0.87 TOP1 (0.41) PPARAALDH1A1SLC6A2KMT2ACYP19A1
SCHEMBL12512003 0.85 PPARA (0.30) PPARA
SCHEMBL12511792 0.85 PPARA (0.30) PPARA
SCHEMBL12511779 0.84 ALDH1A1 (0.35) PPARAALDH1A1KMT2ACYP19A1RXRA
SCHEMBL13795327 0.84 ALDH1A1 (0.35) PPARAALDH1A1KMT2ACYP19A1RXRA
SCHEMBL12512113 0.83 ALDH1A1 (0.38) PPARAALDH1A1CYP19A1RXRAPPARG

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1642886-B1 Saturated and unsaturated N-Alkamides exhibiting taste and flavor enhancement effect in flavor compositions INT FLAVORS & FRAGRANCES INC (US) 2016-11-16 EP disclosed
US-7541055-B2 Saturated and unsaturated N-alkamides exhibiting taste and flavor enhancement effect in flavor compositions INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2009-06-02 US disclosed
US-7541055-B2 Saturated and unsaturated N-alkamides exhibiting taste and flavor enhancement effect in flavor compositions INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2009-06-02 US disclosed