SCHEMBL6964575

SCHEMBL6964575

Cc1cc(-c2cc(O)c(SCCc3ccccc3)c(=O)o2)ccc1OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 3/20 0.44
MAOB P27338 2/20 0.43
MRGPRX4 Q96LA9 1/20 0.43
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42
CYP1A1 P04798 1/20 0.40
CYP1A2 P05177 1/20 0.40
MAPT P10636 2/20 0.39
ABCB1 P08183 1/20 0.39
MCL1 Q07820 1/20 0.39
CREB1 P16220 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
PTGES O14684 1/20 0.38
FFAR1 O14842 1/20 0.37
CDK1 P06493 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
SCHEMBL6964221 0.92 HTR1A (0.41) FFAR4MAOBMRGPRX4BCHEACHE
SCHEMBL6963073 0.90 PPARD (0.43) MAPTL3MBTL1MEN1KMT2AFFAR1
SCHEMBL6959331 0.90 SYK (0.40) FFAR4MAOBMRGPRX4ABCB1PTGES
SCHEMBL6959310 0.90 ABCB1 (0.43) FFAR4MAOBMRGPRX4BCHEACHE
SCHEMBL6957747 0.89 CYP1A1 (0.50) BCHEACHECYP1A1CYP1A2MAPT
SCHEMBL6959805 0.88 PTGS2 (0.46) MRGPRX4MAPTCREB1L3MBTL1MEN1
SCHEMBL6965249 0.86 HCAR2 (0.40) MAPTL3MBTL1MEN1KMT2AKDM4E
SCHEMBL6965244 0.84 ALOX5 (0.38) MAPTL3MBTL1MEN1KMT2AKDM4E
SCHEMBL6952547 0.84 ABCB1 (0.50) MAOBBCHEACHECYP1A1CYP1A2
SCHEMBL6955817 0.83 MAOB (0.45) FFAR4MAOBMRGPRX4BCHEACHE

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 7 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 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