SCHEMBL6956148

SCHEMBL6956148

O=c1oc(-c2ccc(O)cc2)cc(O)c1SCCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.45
SMN1; SMN2 Q16637 4/20 0.44
KDM4E B2RXH2 4/20 0.44
NPC1 O15118 4/20 0.44
POLB P06746 3/20 0.44
BCHE P06276 3/20 0.44
ACHE P22303 3/20 0.44
TDP1 Q9NUW8 3/20 0.44
TNKS O95271 2/20 0.44
RAB9A P51151 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
MAPT P10636 5/20 0.40
PKM P14618 5/20 0.40
KMT2A Q03164 4/20 0.40
ABCB1 P08183 4/20 0.40
FTO Q9C0B1 4/20 0.40
CYP1B1 Q16678 3/20 0.40
CYP3A4 P08684 3/20 0.40
HPGD P15428 3/20 0.40
MAPK1 P28482 3/20 0.40

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
SCHEMBL6954657 0.94 SMN1; SMN2 (0.44) PTGESSMN1; SMN2KDM4EPOLBL3MBTL1
SCHEMBL6960622 0.93 SMN1; SMN2 (0.49) PTGESSMN1; SMN2KDM4ENPC1POLB
SCHEMBL6964247 0.90 AR (0.42) SMN1; SMN2KDM4ENPC1POLBTNKS
SCHEMBL6960159 0.89 SMN1; SMN2 (0.40) PTGESSMN1; SMN2KDM4EPOLBRAB9A
SCHEMBL6956056 0.89 TNKS (0.47) SMN1; SMN2NPC1POLBTNKSRAB9A
SCHEMBL6952547 0.88 ABCB1 (0.50) BCHEACHEL3MBTL1MAPTABCB1
SCHEMBL6954509 0.88 NPC1 (0.47) PTGESSMN1; SMN2KDM4ENPC1POLB
SCHEMBL6963439 0.88 SMN1; SMN2 (0.40) PTGESSMN1; SMN2KDM4EPOLBL3MBTL1
SCHEMBL6957097 0.88 CYSLTR1 (0.41) SMN1; SMN2POLBBCHEACHEL3MBTL1
SCHEMBL6950945 0.88 GSK3B (0.47) SMN1; SMN2KDM4ENPC1POLBRAB9A

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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