SCHEMBL6953451

SCHEMBL6953451

CC(C)CC(SC1CCCC1)c1c(O)cc(-c2ccccc2)oc1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.39
ABCB1 P08183 2/20 0.39
POLB P06746 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CDK5 Q00535 11/20 0.36
CDK5R1 Q15078 11/20 0.36
MAPT P10636 2/20 0.33
ALOX15 P16050 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A1 P04798 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
AR P10275 1/20 0.33
PKM P14618 1/20 0.33
CYP1B1 Q16678 1/20 0.33
FTO Q9C0B1 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL6960131 0.99 ABCB1 (0.39) SMN1; SMN2ABCB1POLBL3MBTL1CDK5
SCHEMBL6965588 0.86 SMN1; SMN2 (0.40) SMN1; SMN2ABCB1POLBL3MBTL1CDK5
SCHEMBL6954821 0.85 POLB (0.38) SMN1; SMN2ABCB1POLBL3MBTL1CDK5
SCHEMBL6953834 0.85 SMN1; SMN2 (0.39) SMN1; SMN2ABCB1POLBL3MBTL1CDK5
SCHEMBL6955420 0.85 SMN1; SMN2 (0.39) SMN1; SMN2ABCB1POLBL3MBTL1CDK5
SCHEMBL6956156 0.85 SMN1; SMN2 (0.39) SMN1; SMN2ABCB1POLBL3MBTL1CDK5
SCHEMBL6964290 0.85 HTT (0.40) SMN1; SMN2MAPTALDH1A1KDM4ETP53
SCHEMBL6963486 0.85 ABCB1 (0.38) SMN1; SMN2ABCB1POLBL3MBTL1CDK5
SCHEMBL6956690 0.81 SMN1; SMN2 (0.43) SMN1; SMN2ABCB1POLBL3MBTL1CDK5
SCHEMBL6963226 0.80 SMN1; SMN2 (0.42) SMN1; SMN2ABCB1POLBL3MBTL1CDK5

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-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