SCHEMBL6958241

SCHEMBL6958241

COc1ccc(-c2cc(O)c(SCc3ccccc3)c(=O)o2)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.46
PTGES O14684 4/20 0.46
PIK3CG P48736 1/20 0.44
ALOX5 P09917 1/20 0.43
ELANE P08246 1/20 0.41
MAPT P10636 4/20 0.41
CSNK2A2 P19784 3/20 0.41
CSNK2B P67870 3/20 0.41
CSNK2A1 P68400 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
KDM4E B2RXH2 2/20 0.41
CYP3A4 P08684 2/20 0.41
HPGD P15428 2/20 0.41
MAPK1 P28482 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
POLB P06746 2/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL6964365 0.88 PTGES (0.47) PTGESPIK3CGALOX5ELANEMAPT
SCHEMBL6965194 0.87 NPSR1 (0.41) PIK3CGALOX5ELANEMAPTMEN1
SCHEMBL6960147 0.84 ALOX5 (0.53) PTGESPIK3CGALOX5ELANEMAPT
SCHEMBL6958649 0.84 NTRK1 (0.51) MAOBPIK3CGMAPTMEN1KMT2A
SCHEMBL6965060 0.82 CYP3A4 (0.46) PIK3CGMAPTMEN1KMT2AKDM4E
SCHEMBL6954786 0.81 SMN1; SMN2 (0.50) MAOBPTGESELANEMAPTCSNK2A2
SCHEMBL6965620 0.80 GABRP (0.45) MAPTMEN1KMT2ASMN1; SMN2POLB
SCHEMBL6965693 0.80 ELANE (0.42) PTGESPIK3CGALOX5ELANEMAPT
SCHEMBL6963367 0.80 POLB (0.45) MAOBPIK3CGMAPTCSNK2A2CSNK2B
SCHEMBL6954509 0.80 NPC1 (0.47) MAOBPTGESMAPTMEN1KMT2A

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-0729465-A1 PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1996-09-04 EP disclosed
EP-0729466-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