SCHEMBL5599264

SCHEMBL5599264

COc1cc(C(CO)c2nccn2C)cc(OC)c1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
KMT2A Q03164 2/20 0.40
ALOX15 P16050 2/20 0.40
HSD17B10 Q99714 2/20 0.40
MEN1 O00255 1/20 0.40
FGB P02675 1/20 0.40
TNNI3 P19429 1/20 0.40
MAPK1 P28482 1/20 0.40
CASP1 P29466 1/20 0.40
BRCA1 P38398 1/20 0.40
TNNT2 P45379 1/20 0.40
CASP7 P55210 1/20 0.40
TNNC1 P63316 1/20 0.40
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
FFAR1 O14842 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
MAPT P10636 3/20 0.38
TSHR P16473 2/20 0.38
ALDH1A1 P00352 2/20 0.38

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
SCHEMBL4899064 0.82 KDM4E (0.55) KDM4EKMT2AALOX15HSD17B10MEN1
SCHEMBL5600881 0.78 FFAR1 (0.53) KDM4EFFAR1L3MBTL1MAPTALDH1A1
SCHEMBL5599337 0.71 KDM4E (0.49) KDM4EKMT2AFFAR1L3MBTL1MAPT
SCHEMBL5599443 0.71 KDM4E (0.46) KDM4EALOX15HSD17B10FFAR1L3MBTL1
SCHEMBL5705642 0.71 SMN1; SMN2 (0.34) KDM4EKMT2AALOX15HSD17B10MEN1
SCHEMBL4907880 0.71 FYN (0.37) KDM4EKMT2AALOX15HSD17B10MEN1
SCHEMBL4908743 0.69 MAPT (0.51) KMT2AL3MBTL1MAPTTSHRALDH1A1
SCHEMBL4057810 0.69 KDM4E (0.50) KDM4EKMT2AALOX15HSD17B10MEN1
SCHEMBL5599142 0.69 FFAR1 (0.52) KDM4EKMT2AALOX15HSD17B10MEN1
SCHEMBL4900554 0.68 MAPT (0.49) KMT2AL3MBTL1MAPTTSHRALDH1A1

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-1755678-A2 ACTIVE SUBSTANCE COMBINATION OF A CARBINOL COMPOUND AND AN OPIOID LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-02-28 EP disclosed
WO-2005097192-A2 ACTIVE SUBSTANCE COMBINATION OF A CARBINOL COMPOUND AND AN OPIOID LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2005-10-20 WO disclosed