SCHEMBL6954754

SCHEMBL6954754

O=c1oc(-c2ccccc2)cc(O)c1C(CC1CC1)SCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
POLB P06746 1/20 0.40
ABCB1 P08183 6/20 0.35
MAPT P10636 4/20 0.35
MEN1 O00255 3/20 0.34
ALOX15 P16050 3/20 0.34
KMT2A Q03164 3/20 0.34
CREB1 P16220 2/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
TP53 P04637 2/20 0.34
CYP1A1 P04798 2/20 0.34
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 2/20 0.34
HPGD P15428 2/20 0.34
ALOX12 P18054 2/20 0.34
CYP1B1 Q16678 2/20 0.34
HSD17B10 Q99714 2/20 0.34
FTO Q9C0B1 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
SCHEMBL6965588 0.83 SMN1; SMN2 (0.40) SMN1; SMN2L3MBTL1POLBABCB1MAPT
SCHEMBL6954004 0.82 SMN1; SMN2 (0.41) SMN1; SMN2L3MBTL1POLBABCB1MAPT
SCHEMBL6956156 0.82 SMN1; SMN2 (0.39) SMN1; SMN2L3MBTL1POLBABCB1MAPT
SCHEMBL7409285 0.80 ABCB1 (0.39) SMN1; SMN2L3MBTL1POLBABCB1MAPT
SCHEMBL6953834 0.80 SMN1; SMN2 (0.39) SMN1; SMN2L3MBTL1POLBABCB1MAPT
SCHEMBL6955420 0.80 SMN1; SMN2 (0.39) SMN1; SMN2L3MBTL1POLBABCB1MAPT
SCHEMBL6954176 0.80 SMN1; SMN2 (0.39) SMN1; SMN2L3MBTL1POLBABCB1MAPT
SCHEMBL6955768 0.78 SMN1; SMN2 (0.44) SMN1; SMN2L3MBTL1POLBABCB1MAPT
SCHEMBL7377223 0.74 ABCB1 (0.40) SMN1; SMN2L3MBTL1POLBABCB1MAPT
SCHEMBL7367968 0.74 SMN1; SMN2 (0.44) SMN1; SMN2L3MBTL1POLBABCB1MAPT

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