SCHEMBL6964293

SCHEMBL6964293

CC(C)CCC(Sc1ccccc1)c1c(O)cc(-c2ccccc2)oc1=O

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
ABCB1 P08183 6/20 0.42
CDK5 Q00535 3/20 0.37
CDK5R1 Q15078 3/20 0.37
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 4/20 0.35
ALOX15 P16050 3/20 0.35
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 2/20 0.35
CYP1A1 P04798 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP1B1 Q16678 2/20 0.35
FTO Q9C0B1 2/20 0.35
TP53 P04637 2/20 0.35

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
SCHEMBL6956690 0.89 SMN1; SMN2 (0.43) SMN1; SMN2L3MBTL1POLBABCB1CDK5
SCHEMBL8434364 0.86 SMN1; SMN2 (0.42) SMN1; SMN2L3MBTL1POLBABCB1CDK5
SCHEMBL6959034 0.84 SMN1; SMN2 (0.41) SMN1; SMN2L3MBTL1POLBABCB1CDK5
SCHEMBL7367968 0.83 SMN1; SMN2 (0.44) SMN1; SMN2L3MBTL1POLBABCB1CDK5
SCHEMBL6954176 0.78 SMN1; SMN2 (0.39) SMN1; SMN2L3MBTL1POLBABCB1CDK5
SCHEMBL6963205 0.77 SMN1; SMN2 (0.47) SMN1; SMN2L3MBTL1POLBABCB1CDK5
SCHEMBL6960264 0.76 ABCB1 (0.40) SMN1; SMN2L3MBTL1POLBABCB1CDK5
SCHEMBL6954004 0.76 SMN1; SMN2 (0.41) SMN1; SMN2L3MBTL1POLBABCB1CDK5
SCHEMBL6958999 0.76 MEN1 (0.40) SMN1; SMN2L3MBTL1POLBABCB1CDK5
SCHEMBL6959874 0.74 ALDH1A1 (0.41) SMN1; SMN2L3MBTL1POLBABCB1MEN1

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
EP-0729465-B1 PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE DAVIS & CO (US) 2003-01-22 EP claimed
EP-0729465-A1 PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1996-09-04 EP claimed
WO-1995014013-A1 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