SCHEMBL6960313

SCHEMBL6960313

O=c1oc(-c2ccc3c(c2)OCCO3)cc(O)c1SCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TERT O14746 9/20 0.52
GSK3A P49840 1/20 0.47
GSK3B P49841 1/20 0.47
METAP2 P50579 1/20 0.46
ALDH1A1 P00352 5/20 0.43
MAPT P10636 3/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
KDM4E B2RXH2 3/20 0.43
HPGD P15428 2/20 0.43
TP53 P04637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HSD17B10 Q99714 1/20 0.43
GAA P10253 1/20 0.43
CNR2 P34972 1/20 0.42
TNKS O95271 1/20 0.40

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
SCHEMBL6964223 0.93 MAPT (0.49) TERTGSK3AGSK3BALDH1A1MAPT
SCHEMBL6954786 0.83 SMN1; SMN2 (0.50) TERTGSK3AGSK3BALDH1A1MAPT
SCHEMBL6958309 0.82 SMN1; SMN2 (0.47) GSK3AGSK3BALDH1A1MAPTSMN1; SMN2
SCHEMBL6954509 0.82 NPC1 (0.47) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL6963454 0.81 ALOX5 (0.43) MAPTSMN1; SMN2NPC1
SCHEMBL6965194 0.81 NPSR1 (0.41) ALDH1A1MAPTSMN1; SMN2NPC1KDM4E
SCHEMBL6963367 0.80 POLB (0.45) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL6960796 0.80 TNKS (0.47) TERTALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL6953390 0.78 SMN1; SMN2 (0.49) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL6965620 0.78 GABRP (0.45) ALDH1A1MAPTSMN1; SMN2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5808062-A AIDS THERAPY WARNER-LAMBERT COMPANY (US) 1998-09-15 US claimed
EP-0729466-A1 PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1996-09-04 EP claimed
WO-1995014014-A2 PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1995-05-26 WO claimed
EP-0729465-B1 PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE DAVIS & CO (US) 2003-01-22 EP disclosed
US-6005103-A TREATMENT OF BACTERIAL AND VIRAL INFECTIONS AND DISEASES, INCLUDING AIDS WARNER-LAMBERT COMPANY (US) 1999-12-21 US disclosed
US-5808062-A AIDS THERAPY WARNER-LAMBERT COMPANY (US) 1998-09-15 US disclosed
EP-0729466-A1 PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1996-09-04 EP disclosed
EP-0729465-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