SCHEMBL5268705

SCHEMBL5268705

CCCCCCCCCCCCCCCc1cccc(OC(CCCCCCCCC)C(=O)O)c1

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 13/20 0.62
PPARG P37231 10/20 0.62
PTGES O14684 1/20 0.59
ALOX5 P09917 1/20 0.59
CTRC Q99895 1/20 0.56
PTGIR P43119 1/20 0.51
FOLH1 Q04609 1/20 0.49
PTGDR2 Q9Y5Y4 1/20 0.47

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
SCHEMBL4810429 0.91 PPARA (0.64) PPARAPPARGPTGESALOX5PTGDR2
SCHEMBL77120 0.86 PPARA (0.57) PPARAPPARGPTGESALOX5PTGIR
SCHEMBL77121 0.86 PPARA (0.57) PPARAPPARGPTGESALOX5PTGIR
SCHEMBL7825417 0.85 PPARG (0.53) PPARAPPARGPTGESALOX5CTRC
SCHEMBL27689995 0.85 PPARA (0.70) PPARAPPARGPTGESALOX5CTRC
SCHEMBL15199289 0.85 PPARA (0.70) PPARAPPARGPTGESALOX5CTRC
SCHEMBL5696326 0.85 PPARA (0.70) PPARAPPARGPTGESALOX5CTRC
SCHEMBL28883111 0.85 PPARA (0.67) PPARAPPARGPTGIR
SCHEMBL15903011 0.84 CTRC (0.64) PPARAPPARGPTGESALOX5CTRC
SCHEMBL6342298 0.84 CTRC (0.64) PPARAPPARGPTGESALOX5CTRC

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