SCHEMBL6955608

SCHEMBL6955608

O=c1oc(-c2ccccc2)cc(O)c1CSc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.50
L3MBTL1 Q9Y468 3/20 0.50
POLB P06746 1/20 0.50
DAO P14920 2/20 0.46
ABCB1 P08183 5/20 0.43
KMT2A Q03164 6/20 0.42
MEN1 O00255 5/20 0.42
PTGES O14684 1/20 0.42
HSP90AA1 P07900 1/20 0.42
MAPT P10636 5/20 0.41
ALOX15 P16050 4/20 0.41
ALDH1A1 P00352 4/20 0.41
CYP3A4 P08684 4/20 0.41
KDM4E B2RXH2 4/20 0.41
TP53 P04637 4/20 0.41
HPGD P15428 4/20 0.41
HSD17B10 Q99714 4/20 0.41
CYP1A1 P04798 3/20 0.41
CYP1A2 P05177 3/20 0.41
CYP1B1 Q16678 3/20 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
SCHEMBL8538762 0.94 SMN1; SMN2 (0.48) SMN1; SMN2L3MBTL1POLBDAOABCB1
SCHEMBL7374354 0.88 SMN1; SMN2 (0.45) SMN1; SMN2L3MBTL1POLBABCB1KMT2A
SCHEMBL8538695 0.87 POLB (0.41) SMN1; SMN2L3MBTL1POLBABCB1PTGES
SCHEMBL8536190 0.85 SMN1; SMN2 (0.40) SMN1; SMN2L3MBTL1POLBDAOABCB1
SCHEMBL8536188 0.82 HDAC4 (0.41) SMN1; SMN2L3MBTL1POLBDAOABCB1
SCHEMBL7374377 0.80 ALDH1A1 (0.46) SMN1; SMN2L3MBTL1POLBABCB1KMT2A
SCHEMBL6959106 0.80 SMN1; SMN2 (0.47) SMN1; SMN2L3MBTL1POLBABCB1KMT2A
SCHEMBL7366840 0.79 SMN1; SMN2 (0.41) SMN1; SMN2L3MBTL1POLBABCB1KMT2A
SCHEMBL7376354 0.77 SMN1; SMN2 (0.40) SMN1; SMN2L3MBTL1POLBABCB1KMT2A
SCHEMBL7367971 0.77 SMN1; SMN2 (0.44) SMN1; SMN2L3MBTL1POLBABCB1KMT2A

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