SCHEMBL13637802

SCHEMBL13637802

C=C(I)/C=C/C=C/CC/C=C\CC

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.52
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
OXER1 Q8TDS5 2/20 0.32
FFAR1 O14842 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
CYP19A1 P11511 1/20 0.31
RXRA P19793 1/20 0.31
PPARG P37231 1/20 0.31
LPAR2 Q9HBW0 2/20 0.31
LPAR3 Q9UBY5 2/20 0.31
LPAR1 Q92633 1/20 0.31
PTGS1 P23219 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
SCHEMBL13637815 0.81 PPARA (0.58) PPARACNR1CNR2OXER1FFAR1
SCHEMBL4445473 0.72 PPARA (0.89) PPARACNR1CNR2OXER1FFAR1
SCHEMBL13674213 0.72 PPARA (0.89) PPARACNR1CNR2OXER1FFAR1
SCHEMBL4445477 0.72 PPARA (0.89) PPARACNR1CNR2OXER1FFAR1
SCHEMBL9986126 0.71 PPARA (0.50) PPARACNR1CNR2OXER1FFAR1
SCHEMBL9986129 0.71 PPARA (0.50) PPARACNR1CNR2OXER1FFAR1
SCHEMBL24235179 0.69 PPARA (0.48) PPARACNR1CNR2OXER1FFAR1
SCHEMBL4877054 0.68 PPARA (0.58) PPARACNR1CNR2OXER1FFAR1
SCHEMBL2745181 0.68 PPARA (1.00) PPARACNR1CNR2OXER1FFAR1
SCHEMBL13637845 0.68 PPARA (0.58) PPARACNR1CNR2OXER1FFAR1

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-1496042-B1 E2, E4,Z8-Undecatrienoic acid and ester and carboxamide derivatives thereof, organoleptic uses thereof and processes for preparing same INT FLAVORS & FRAGRANCES INC (US) 2009-11-11 EP disclosed