SCHEMBL6959264

SCHEMBL6959264

O=c1oc(-c2ccccc2)cc(O)c1SCCc1cccc(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
POLB P06746 1/20 0.42
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
HSP90AA1 P07900 1/20 0.41
ALDH1A1 P00352 5/20 0.41
HPGD P15428 2/20 0.41
HTR2B P41595 1/20 0.41
ABCB1 P08183 3/20 0.40
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39
GABRB2 P47870 1/20 0.39

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
SCHEMBL6966516 0.93 GABRP (0.44) SMN1; SMN2L3MBTL1POLBKMT2AMEN1
SCHEMBL6960622 0.89 SMN1; SMN2 (0.49) SMN1; SMN2L3MBTL1POLBKMT2AMEN1
SCHEMBL6964247 0.88 AR (0.42) SMN1; SMN2L3MBTL1POLBKMT2AMEN1
SCHEMBL6965496 0.87 ASAH1 (0.41) SMN1; SMN2L3MBTL1POLBHTR2BGABRP
SCHEMBL6965620 0.85 GABRP (0.45) SMN1; SMN2L3MBTL1POLBKMT2AMEN1
SCHEMBL6959678 0.84 SMN1; SMN2 (0.42) SMN1; SMN2L3MBTL1POLBKMT2AMEN1
SCHEMBL6954657 0.84 SMN1; SMN2 (0.44) SMN1; SMN2L3MBTL1POLBKMT2AMEN1
SCHEMBL6957750 0.83 ABCB1 (0.44) SMN1; SMN2L3MBTL1POLBALDH1A1HPGD
SCHEMBL6963458 0.83 SMN1; SMN2 (0.46) SMN1; SMN2L3MBTL1POLBKMT2AMEN1
SCHEMBL6956148 0.83 PTGES (0.45) SMN1; SMN2L3MBTL1POLBKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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