SCHEMBL6964223

SCHEMBL6964223

O=c1oc(-c2ccc3c(c2)OCO3)cc(O)c1SCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.49
NPC1 O15118 6/20 0.49
RAB9A P51151 6/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
ALDH1A1 P00352 3/20 0.48
HPGD P15428 3/20 0.48
KDM4E B2RXH2 2/20 0.48
TNKS O95271 1/20 0.48
GSK3A P49840 2/20 0.47
GSK3B P49841 2/20 0.47
TERT O14746 1/20 0.44
GAPDH P04406 1/20 0.43
LMNA P02545 2/20 0.42
PTGS2 P35354 1/20 0.41
EDNRB P24530 2/20 0.41
EDNRA P25101 2/20 0.41
USP2 O75604 1/20 0.41
MEN1 O00255 1/20 0.41
TP53 P04637 1/20 0.41
ALOX12 P18054 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
SCHEMBL6960313 0.93 TERT (0.52) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL6958309 0.89 SMN1; SMN2 (0.47) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL6954786 0.83 SMN1; SMN2 (0.50) MAPTSMN1; SMN2ALDH1A1HPGDKDM4E
SCHEMBL6954509 0.82 NPC1 (0.47) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL6963454 0.81 ALOX5 (0.43) MAPTNPC1SMN1; SMN2
SCHEMBL6965194 0.81 NPSR1 (0.41) MAPTNPC1SMN1; SMN2ALDH1A1HPGD
SCHEMBL6963367 0.80 POLB (0.45) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL6960796 0.80 TNKS (0.47) MAPTSMN1; SMN2ALDH1A1HPGDKDM4E
SCHEMBL6953390 0.78 SMN1; SMN2 (0.49) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL6965620 0.78 GABRP (0.45) MAPTSMN1; SMN2ALDH1A1PTGS2MEN1

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 11 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
EP-0443568-B1 Fused thiophene derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1996-06-12 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-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