SCHEMBL6965606

SCHEMBL6965606

CC(C)c1ccccc1Sc1c(O)cc(-c2cccc(OCC(N)=O)c2)oc1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.42
ALDH1A1 P00352 5/20 0.42
MAPT P10636 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HPGD P15428 3/20 0.36
THRB P10828 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ABL1 P00519 1/20 0.35
POLB P06746 1/20 0.35
CYP1A1 P04798 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2B6 P20813 1/20 0.35
DPP4 P27487 3/20 0.35
C3AR1 Q16581 1/20 0.35
FABP4 P15090 1/20 0.34
PSMD14 O00487 1/20 0.34

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
SCHEMBL8537357 0.86 ABCB1 (0.44) MAPTNPC1RAB9AHPGDCASP3
SCHEMBL6958498 0.82 XDH (0.45) KDM4EALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL6964481 0.81 TNKS (0.44) KDM4EALDH1A1MAPTKMT2AMEN1
SCHEMBL6961039 0.81 SMN1; SMN2 (0.46) KDM4EALDH1A1MAPTKMT2AMEN1
SCHEMBL6965635 0.80 MEN1 (0.45) KDM4EALDH1A1NPC1RAB9AKMT2A
SCHEMBL6961237 0.80 QPCT (0.42) KDM4EALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL6963792 0.79 GABRP (0.43) KDM4EMAPTKMT2ASMN1; SMN2THRB
SCHEMBL6961046 0.79 KDM4E (0.50) KDM4EALDH1A1MAPTHPGDTHRB
SCHEMBL8538761 0.78 NPC1 (0.47) KDM4EALDH1A1MAPTNPC1RAB9A
SCHEMBL6954863 0.78 ABCB1 (0.39) KDM4EALDH1A1MAPTSMN1; SMN2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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