SCHEMBL6965568

SCHEMBL6965568

O=c1oc(-c2ccccc2)cc(O)c1Sc1ccccc1C1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
POLB P06746 1/20 0.41
CDK5 Q00535 8/20 0.36
CDK5R1 Q15078 8/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
PTGES O14684 1/20 0.35
HSP90AA1 P07900 1/20 0.35
MAPT P10636 3/20 0.34
ALOX15 P16050 3/20 0.34
CYP1A2 P05177 3/20 0.34
CYP1B1 Q16678 3/20 0.34
FTO Q9C0B1 3/20 0.34
PKM P14618 2/20 0.34
CYP19A1 P11511 2/20 0.34
ALDH1A1 P00352 2/20 0.34
CYP1A1 P04798 2/20 0.34
CYP3A4 P08684 2/20 0.34
KDM4E B2RXH2 2/20 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
SCHEMBL6965166 0.99 SMN1; SMN2 (0.42) SMN1; SMN2L3MBTL1POLBCDK5CDK5R1
SCHEMBL6965647 0.94 SMN1; SMN2 (0.44) SMN1; SMN2L3MBTL1POLBCDK5CDK5R1
SCHEMBL6960950 0.86 SMN1; SMN2 (0.36) SMN1; SMN2L3MBTL1POLBCDK5CDK5R1
SCHEMBL6963983 0.84 SMN1; SMN2 (0.37) SMN1; SMN2L3MBTL1POLBCDK5CDK5R1
SCHEMBL6966499 0.80 TERT (0.38) MAPTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL6957519 0.80 SMN1; SMN2 (0.38) SMN1; SMN2L3MBTL1POLBMEN1KMT2A
SCHEMBL6958313 0.79 TERT (0.38) KMT2AMAPTALDH1A1KDM4EHPGD
SCHEMBL6958076 0.78 SMN1; SMN2 (0.58) SMN1; SMN2L3MBTL1POLBCDK5CDK5R1
SCHEMBL6954825 0.77 SMN1; SMN2 (0.41) SMN1; SMN2L3MBTL1POLBCDK5CDK5R1
SCHEMBL6963608 0.77 MEN1 (0.50) SMN1; SMN2L3MBTL1POLBCDK5CDK5R1

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-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