SCHEMBL6603881

SCHEMBL6603881

CCC(=O)c1cccc(-c2ccc(Cl)c(Cl)c2)c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
BCL2L1 Q07817 7/20 0.48
MCL1 Q07820 7/20 0.48
AHR P35869 1/20 0.45
CYP3A4 P08684 1/20 0.45
CNR1 P21554 1/20 0.44
KMO O15229 1/20 0.44
ERCC5 P28715 2/20 0.44
FEN1 P39748 2/20 0.44
SCN9A Q15858 1/20 0.43
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42

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
SCHEMBL7536493 0.85 MAPT (0.56) MAPTSMN1; SMN2L3MBTL1CNR1KMO
SCHEMBL6005391 0.81 L3MBTL1 (0.69) MAPTSMN1; SMN2L3MBTL1KMOERCC5
SCHEMBL2127069 0.81 TSHR (0.57) CYP3A4KMO
SCHEMBL16178565 0.80 SMN1; SMN2 (0.79) MAPTSMN1; SMN2L3MBTL1KMOERCC5
SCHEMBL28837428 0.80 MAPT (0.58) MAPTSMN1; SMN2L3MBTL1KMOERCC5
SCHEMBL13957667 0.80 MAPT (0.58) MAPTSMN1; SMN2L3MBTL1KMOERCC5
SCHEMBL3540530 0.80 KMO (0.66) AHRKMORXRARXRB
SCHEMBL13078374 0.80 KMO (0.63) MAPTSMN1; SMN2L3MBTL1KMOERCC5
SCHEMBL6605319 0.79 MAPT (0.56) MAPTSMN1; SMN2L3MBTL1KMOERCC5
SCHEMBL6570603 0.79 SMN1; SMN2 (0.66) MAPTSMN1; SMN2L3MBTL1KMOERCC5

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
EP-1142887-B1 5,6-dihydropyrone derivatives as protease inhibitors and antiviral agents PARKE DAVIS & CO (US) 2004-04-07 EP disclosed
EP-0729463-B1 5,6-DIHYDROPYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE DAVIS & CO (US) 2002-05-22 EP disclosed
EP-1142887-A1 5,6-dihydropyrone derivatives as protease inhibitors and antiviral agents PARKE, DAVIS & COMPANY (US) 2001-10-10 EP disclosed
US-5936128-A BENZENETHIOL COMPOUNDS AS INTERMEDIATES; BACTERICIDES, VIRICIDES; HIV WARNER-LAMBERT COMPANY (US) 1999-08-10 US disclosed
US-5840751-A ADMINISTERING IN THE TREATMENT OF INFECTION OR DISEASE CAUSED BY A RETROVIRUS WARNER-LAMBERT COMPANY (US) 1998-11-24 US disclosed
US-5789440-A 5,6-dihydropyrone derivatives as protease inhibitors and antiviral agents WARNER-LAMBERT COMPANY (US) 1998-08-04 US disclosed
EP-0729464-A1 5,6-DIHYDROPYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1996-09-04 EP disclosed
EP-0729463-A1 5,6-DIHYDROPYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE DAVIS & COMPANY (US) 1996-09-04 EP disclosed
WO-1995014012-A1 5,6-DIHYDROPYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1995-05-26 WO disclosed
WO-1995014011-A2 5,6-DIHYDROPYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1995-05-26 WO disclosed