SCHEMBL5337331

SCHEMBL5337331

CCCCCCCCCCC(=O)OOc1cc(O)cc(CCCCC)c1

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 18/20 0.64
CNR1 P21554 16/20 0.64
PTGS2 P35354 1/20 0.58

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
SCHEMBL5453586 0.92 CNR2 (0.58) CNR2CNR1PTGS2
SCHEMBL4112785 0.80 CNR2 (0.71) CNR2CNR1
SCHEMBL4110891 0.80 CNR2 (0.71) CNR2CNR1
SCHEMBL4115813 0.80 CNR2 (0.71) CNR2CNR1
SCHEMBL10141503 0.79 PTGS2 (0.60) CNR2CNR1PTGS2
SCHEMBL17509774 0.78 PTGS2 (0.71) CNR2CNR1PTGS2
SCHEMBL17509772 0.78 CNR1 (0.72) CNR2CNR1PTGS2
SCHEMBL17509806 0.78 PTGS2 (0.71) CNR2CNR1PTGS2
SCHEMBL17509805 0.78 PTGS2 (0.71) CNR2CNR1PTGS2
SCHEMBL17509807 0.78 PTGS2 (0.71) CNR2CNR1PTGS2

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