SCHEMBL7367971

SCHEMBL7367971

O=c1oc(-c2ccccc2)cc(O)c1CC(Sc1ccccc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
POLB P06746 1/20 0.44
ABCB1 P08183 8/20 0.39
MEN1 O00255 5/20 0.37
KMT2A Q03164 5/20 0.37
PTGES O14684 1/20 0.37
HSP90AA1 P07900 1/20 0.37
MAPT P10636 6/20 0.36
FTO Q9C0B1 5/20 0.36
ALOX15 P16050 4/20 0.36
ALDH1A1 P00352 4/20 0.36
CYP3A4 P08684 4/20 0.36
KDM4E B2RXH2 4/20 0.36
TP53 P04637 4/20 0.36
HPGD P15428 4/20 0.36
HSD17B10 Q99714 4/20 0.36
CYP1A2 P05177 4/20 0.36
CYP1B1 Q16678 4/20 0.36
CYP19A1 P11511 4/20 0.36

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
SCHEMBL9038366 0.79 SMN1; SMN2 (0.42) SMN1; SMN2L3MBTL1POLBABCB1MEN1
SCHEMBL7367968 0.78 SMN1; SMN2 (0.44) SMN1; SMN2L3MBTL1POLBABCB1MEN1
SCHEMBL7373050 0.78 SMN1; SMN2 (0.39) SMN1; SMN2L3MBTL1POLBABCB1KMT2A
SCHEMBL6955608 0.77 SMN1; SMN2 (0.50) SMN1; SMN2L3MBTL1POLBABCB1MEN1
SCHEMBL6963205 0.76 SMN1; SMN2 (0.47) SMN1; SMN2L3MBTL1POLBABCB1MEN1
SCHEMBL6959106 0.76 SMN1; SMN2 (0.47) SMN1; SMN2L3MBTL1POLBABCB1MEN1
SCHEMBL6956690 0.75 SMN1; SMN2 (0.43) SMN1; SMN2L3MBTL1POLBABCB1MEN1
SCHEMBL6964293 0.74 SMN1; SMN2 (0.42) SMN1; SMN2L3MBTL1POLBABCB1MEN1
SCHEMBL8434364 0.74 SMN1; SMN2 (0.42) SMN1; SMN2L3MBTL1POLBABCB1MEN1
SCHEMBL6959034 0.72 SMN1; SMN2 (0.41) SMN1; SMN2L3MBTL1POLBABCB1MEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0729465-A1 PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1996-09-04 EP disclosed
EP-0729466-A1 PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1996-09-04 EP disclosed
WO-1995014013-A1 PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1995-05-26 WO disclosed
WO-1995014014-A2 PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1995-05-26 WO disclosed