SCHEMBL6680320

SCHEMBL6680320

CCOCCOc1nc(-c2ccc(OCCO)cc2)n(-c2ccc(OC)cc2)n1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 4/20 0.58
PTGS2 P35354 4/20 0.58
MALT1 Q9UDY8 12/20 0.56
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL6684493 0.90 PTGS1 (0.60) PTGS1PTGS2MALT1L3MBTL1KDM4E
SCHEMBL6681259 0.87 PTGS2 (0.53) PTGS1PTGS2MALT1L3MBTL1KDM4E
SCHEMBL6687640 0.86 MALT1 (0.58) PTGS1PTGS2MALT1L3MBTL1
SCHEMBL6685190 0.85 PTGS1 (0.54) PTGS1PTGS2MALT1L3MBTL1KDM4E
SCHEMBL6680858 0.83 RAB9A (0.55) PTGS1PTGS2MALT1KDM4EHSD17B10
SCHEMBL4032188 0.82 PTGS1 (0.72) PTGS1PTGS2MALT1L3MBTL1
SCHEMBL4026247 0.82 PTGS1 (0.76) PTGS1PTGS2MALT1L3MBTL1
SCHEMBL6687447 0.82 PTGS1 (0.57) PTGS1PTGS2MALT1L3MBTL1
SCHEMBL6683365 0.80 PTGS1 (0.67) PTGS1PTGS2MALT1L3MBTL1
SCHEMBL6689504 0.80 PTGS1 (0.49) PTGS1PTGS2MALT1

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
WO-2004060367-A1 IMIDAZOLE AND TRIAZOLE DERIVATIVES USEFUL AS SELECTIVE COX-1 INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-07-22 WO disclosed