SCHEMBL5317260

SCHEMBL5317260

CCCCCCCCCC(Oc1cc(O)cc(CCCCC)c1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.56
PTGES O14684 1/20 0.52
ALOX5 P09917 1/20 0.52
PPARG P37231 1/20 0.52
CNR2 P34972 12/20 0.50
CNR1 P21554 9/20 0.50
CYP3A4 P08684 1/20 0.50
CTRC Q99895 1/20 0.49
PPARA Q07869 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
SCHEMBL5268705 0.83 PPARA (0.62) PTGESALOX5PPARGCTRCPPARA
SCHEMBL31442547 0.82 PTGS2 (0.63) PTGS2CNR2CNR1CYP3A4
SCHEMBL5386932 0.82 CNR1 (0.60) PTGS2CNR2CNR1
SCHEMBL5696326 0.81 PPARA (0.70) PTGESALOX5PPARGCTRCPPARA
SCHEMBL15199289 0.81 PPARA (0.70) PTGESALOX5PPARGCTRCPPARA
SCHEMBL27689995 0.81 PPARA (0.70) PTGESALOX5PPARGCTRCPPARA
SCHEMBL31442578 0.81 PTGS2 (0.61) PTGS2CNR2CNR1CYP3A4
SCHEMBL5275697 0.80 CTRC (0.55) PTGESALOX5PPARGCYP3A4CTRC
SCHEMBL5270700 0.80 ALOX5 (0.55) PTGESALOX5PPARGCNR2CNR1
SCHEMBL4264526 0.79 PTGS2 (0.67) PTGS2CNR2CNR1CYP3A4

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-1846364-A1 NEW POTENT AND SELECTIVE LIGANDS OF CANNABINOID RECEPTORS Universita' Degli Studi di Siena (IT) 2007-10-24 EP disclosed
WO-2006080040-A1 NEW POTENT AND SELECTIVE LIGANDS OF CANNABINOID RECEPTORS UNIVERSITÀ DEGLI STUDI DI SIENA (IT) 2006-08-03 WO disclosed