SCHEMBL6954657

SCHEMBL6954657

O=c1oc(-c2ccc(CCc3ccccc3)cc2)cc(O)c1SCCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
POLB P06746 1/20 0.44
GPR84 Q9NQS5 3/20 0.39
DAO P14920 2/20 0.39
HTR2B P41595 1/20 0.39
HTR3A P46098 1/20 0.39
ABCB1 P08183 4/20 0.38
MAPT P10636 2/20 0.38
MMP12 P39900 1/20 0.38
MMP13 P45452 1/20 0.38
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA7 P43166 2/20 0.37
CREB1 P16220 2/20 0.37
PTGES O14684 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
GABRP O00591 1/20 0.37

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
SCHEMBL6960622 0.95 SMN1; SMN2 (0.49) SMN1; SMN2L3MBTL1POLBGPR84ABCB1
SCHEMBL6956148 0.94 PTGES (0.45) SMN1; SMN2L3MBTL1POLBGPR84ABCB1
SCHEMBL6964247 0.91 AR (0.42) SMN1; SMN2L3MBTL1POLBGPR84ABCB1
SCHEMBL6960159 0.90 SMN1; SMN2 (0.40) SMN1; SMN2L3MBTL1POLBGPR84ABCB1
SCHEMBL6956056 0.90 TNKS (0.47) SMN1; SMN2L3MBTL1POLBGPR84DAO
SCHEMBL6963439 0.89 SMN1; SMN2 (0.40) SMN1; SMN2L3MBTL1POLBGPR84ABCB1
SCHEMBL6957097 0.89 CYSLTR1 (0.41) SMN1; SMN2L3MBTL1POLBGPR84ABCB1
SCHEMBL6950945 0.89 GSK3B (0.47) SMN1; SMN2L3MBTL1POLBGPR84KDM4E
SCHEMBL6963458 0.88 SMN1; SMN2 (0.46) SMN1; SMN2L3MBTL1POLBGPR84HTR2B
SCHEMBL6964966 0.88 POLB (0.41) SMN1; SMN2L3MBTL1POLBCA12CA1

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