SCHEMBL6682877

SCHEMBL6682877

COc1ccc(-n2nc(OC3CCCC3)nc2-c2ccc(OCCO)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 4/20 0.56
PTGS2 P35354 4/20 0.56
MALT1 Q9UDY8 6/20 0.47
KDM4E B2RXH2 1/20 0.42
PDE4D Q08499 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
CNR1 P21554 3/20 0.38
CNR2 P34972 3/20 0.38
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL6680833 0.99 PTGS1 (0.55) PTGS1PTGS2MALT1KDM4EPDE4D
SCHEMBL6132456 0.89 PTGS2 (0.67) PTGS1PTGS2MALT1PDE4DL3MBTL1
SCHEMBL6687277 0.87 PTGS2 (0.51) PTGS1PTGS2MALT1KDM4EPDE4D
SCHEMBL6681046 0.86 PTGS2 (0.60) PTGS1PTGS2MALT1PDE4DL3MBTL1
SCHEMBL6687447 0.84 PTGS1 (0.57) PTGS1PTGS2MALT1L3MBTL1
SCHEMBL6686639 0.83 RAB9A (0.53) PTGS1PTGS2MALT1ALDH1A1HPGD
SCHEMBL4247525 0.80 PTGS2 (0.55) PTGS1PTGS2
SCHEMBL3356012 0.80 PTGS2 (0.54) PTGS1PTGS2
SCHEMBL6680320 0.79 PTGS1 (0.58) PTGS1PTGS2MALT1KDM4EL3MBTL1
SCHEMBL6682093 0.78 MALT1 (0.41) PTGS1PTGS2MALT1PDE4DL3MBTL1

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