Sugi Predict

Sugi Predict / Compounds / SCHEMBL6523352

SCHEMBL6523352

SCHEMBL6523352

CCOCCCCc1cnc(-c2c(CC)cccc2CC)cc1OC

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ C5AR1 P21730 15/20 0.38
▸ ALOX5 P09917 1/20 0.36
▸ PTGS2 P35354 1/20 0.36
▸ PPARA Q07869 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ CNR1 P21554 1/20 0.35
▸ CNR2 P34972 1/20 0.35

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
SCHEMBL6522043 0.86 PPARA (0.49) ALOX5PTGS2PPARA
SCHEMBL6520800 0.86 ALOX5 (0.43) C5AR1ALOX5PTGS2PPARA
SCHEMBL6515324 0.80 MAPT (0.41) L3MBTL1
SCHEMBL6523381 0.79 C5AR1 (0.41) C5AR1
SCHEMBL6522088 0.79 NPSR1 (0.36) C5AR1PTGS2L3MBTL1
SCHEMBL1327003 0.78 C5AR1 (0.48) C5AR1
SCHEMBL6518505 0.78 C5AR1 (0.37) C5AR1ALOX5PTGS2L3MBTL1
SCHEMBL4826294 0.78 C5AR1 (0.40) C5AR1
SCHEMBL4826293 0.76 C5AR1 (0.40) C5AR1
SCHEMBL6515014 0.75 MAPK1 (0.40) L3MBTL1CNR1CNR2

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-1565452-A2 3-SUBSTITUTED-6-ARYL PYRIDINES AS LIGANDS OF C5A RECEPTORS NEUROGEN CORPORATION (US) 2005-08-24 — — EP disclosed
WO-2004043925-A2 3-SUBSTITUTED-6-ARYL PYRIDINED AS LIGANDS OF C5A RECEPTORS NEUROGEN CORPORATION (US) 2004-05-27 — — WO disclosed