SCHEMBL6964680

SCHEMBL6964680

O=c1oc(-c2ccccc2)cc(O)c1SCc1ccc2ccccc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
POLB P06746 1/20 0.44
PDE7A Q13946 1/20 0.44
PTGES O14684 2/20 0.43
NQO1 P15559 2/20 0.39
CYP19A1 P11511 2/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
FFAR1 O14842 1/20 0.38
MAPT P10636 4/20 0.38
ABCB1 P08183 2/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
ALOX15 P16050 3/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38

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
SCHEMBL6963454 0.88 ALOX5 (0.43) DAOSMN1; SMN2L3MBTL1POLBPDE7A
SCHEMBL6954786 0.87 SMN1; SMN2 (0.50) DAOSMN1; SMN2L3MBTL1POLBPTGES
SCHEMBL6964708 0.84 POLB (0.45) DAOSMN1; SMN2L3MBTL1POLBMAPT
SCHEMBL6956208 0.83 NTRK1 (0.48) DAOSMN1; SMN2L3MBTL1POLBCYP19A1
SCHEMBL6959313 0.83 POLB (0.50) SMN1; SMN2L3MBTL1POLBMAPTABCB1
SCHEMBL6960312 0.82 SMN1; SMN2 (0.41) SMN1; SMN2L3MBTL1POLBFFAR1MAPT
SCHEMBL6964536 0.82 DAO (0.46) DAOSMN1; SMN2L3MBTL1POLBMAPT
SCHEMBL6954022 0.81 ABCB1 (0.53) L3MBTL1CYP19A1MAPTABCB1CYP1A2
SCHEMBL6958309 0.81 SMN1; SMN2 (0.47) DAOSMN1; SMN2L3MBTL1POLBMAPT
SCHEMBL6958533 0.81 DAO (0.47) DAOL3MBTL1CYP19A1MAPTABCB1

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-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