SCHEMBL6965647

SCHEMBL6965647

O=c1oc(-c2ccccc2)cc(O)c1Sc1ccccc1C1CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
POLB P06746 1/20 0.44
MEN1 O00255 5/20 0.37
KMT2A Q03164 5/20 0.37
PTGES O14684 1/20 0.37
HSP90AA1 P07900 1/20 0.37
CYP1B1 Q16678 6/20 0.36
MAPT P10636 5/20 0.36
CYP19A1 P11511 5/20 0.36
CYP1A2 P05177 5/20 0.36
CYP3A4 P08684 5/20 0.36
TP53 P04637 5/20 0.36
HPGD P15428 5/20 0.36
ALOX15 P16050 4/20 0.36
FTO Q9C0B1 4/20 0.36
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 4/20 0.36
HSD17B10 Q99714 4/20 0.36
CYP1A1 P04798 4/20 0.36

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
SCHEMBL6965166 0.95 SMN1; SMN2 (0.42) SMN1; SMN2L3MBTL1POLBMEN1KMT2A
SCHEMBL6965568 0.94 SMN1; SMN2 (0.41) SMN1; SMN2L3MBTL1POLBMEN1KMT2A
SCHEMBL6957519 0.85 SMN1; SMN2 (0.38) SMN1; SMN2L3MBTL1POLBMEN1KMT2A
SCHEMBL6958076 0.81 SMN1; SMN2 (0.58) SMN1; SMN2L3MBTL1POLBMEN1KMT2A
SCHEMBL6963983 0.81 SMN1; SMN2 (0.37) SMN1; SMN2L3MBTL1POLBMEN1KMT2A
SCHEMBL6960950 0.80 SMN1; SMN2 (0.36) SMN1; SMN2L3MBTL1POLBMEN1KMT2A
SCHEMBL6954825 0.80 SMN1; SMN2 (0.41) SMN1; SMN2L3MBTL1POLBMEN1KMT2A
SCHEMBL6966155 0.80 SMN1; SMN2 (0.48) SMN1; SMN2L3MBTL1POLBMEN1KMT2A
SCHEMBL6963608 0.80 MEN1 (0.50) SMN1; SMN2L3MBTL1POLBMEN1KMT2A
SCHEMBL6960075 0.79 TERT (0.39) MAPTTP53HPGDALDH1A1KDM4E

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 10 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
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