SCHEMBL6959362

SCHEMBL6959362

O=c1oc(-c2ccccc2)cc(O)c1SCCOc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.45
POLB P06746 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ABCB1 P08183 2/20 0.41
MAPT P10636 2/20 0.41
EGFR P00533 1/20 0.41
RET P07949 1/20 0.41
KDR P35968 1/20 0.41
SIGMAR1 Q99720 1/20 0.40
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
RAB9A P51151 1/20 0.39
CYP1A1 P04798 1/20 0.39
CYP1A2 P05177 1/20 0.39
CREB1 P16220 1/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL6956331 0.85 SLC16A3 (0.46) L3MBTL1ABCB1MAPTNPC1RAB9A
SCHEMBL6960907 0.84 ACHE (0.42) L3MBTL1POLBSMN1; SMN2ABCB1MAPT
SCHEMBL6958378 0.84 MAOA (0.45) ABCB1
SCHEMBL6954320 0.83 SLC16A3 (0.44) ABCB1MAPTRAB9ACYP1A1CYP1A2
SCHEMBL6960622 0.82 SMN1; SMN2 (0.49) L3MBTL1POLBSMN1; SMN2ABCB1MAPT
SCHEMBL6952547 0.80 ABCB1 (0.50) L3MBTL1ABCB1MAPTLMNACYP1A1
SCHEMBL6966105 0.80 SLC16A3 (0.43) L3MBTL1POLBSMN1; SMN2ABCB1MAPT
SCHEMBL6957097 0.80 CYSLTR1 (0.41) L3MBTL1POLBSMN1; SMN2ABCB1MAPT
SCHEMBL6957750 0.79 ABCB1 (0.44) L3MBTL1POLBSMN1; SMN2ABCB1MAPT
SCHEMBL6963458 0.79 SMN1; SMN2 (0.46) L3MBTL1POLBSMN1; SMN2ABCB1MAPT

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