SCHEMBL6605870

SCHEMBL6605870

O=C1C=C(O)CC(CCc2ccc(Cl)c(Cl)c2)(c2ccccc2)O1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PLAAT3 P53816 1/20 0.37
PLAAT5 Q96KN8 1/20 0.37
PLAAT2 Q9NWW9 1/20 0.37
PLAAT4 Q9UL19 1/20 0.37
UTS2R Q9UKP6 2/20 0.37
LIPG Q9Y5X9 2/20 0.37
LDHA P00338 1/20 0.36
PDPK1 O15530 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
IGF1R P08069 1/20 0.35
ALOX15 P16050 1/20 0.35
SIGMAR1 Q99720 2/20 0.34
RECQL P46063 1/20 0.34
BLM P54132 1/20 0.34

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
SCHEMBL6604162 0.85 ALDH1A1 (0.38) ALDH1A1LDHAMEN1KMT2ASIGMAR1
SCHEMBL8007692 0.85 ALDH1A1 (0.38) ALDH1A1LDHAMEN1KMT2ASIGMAR1
SCHEMBL8008694 0.84 EGFR (0.35) ALDH1A1LMNAPLAAT3PLAAT5PLAAT2
SCHEMBL8346206 0.84 EGFR (0.35) ALDH1A1LMNAPLAAT3PLAAT5PLAAT2
SCHEMBL8341314 0.84 OPRK1 (0.39)
SCHEMBL8008514 0.84 OPRK1 (0.39)
SCHEMBL6606008 0.82 ASAH1 (0.37) ALDH1A1LMNANPSR1PLAAT3PLAAT5
SCHEMBL6604225 0.82 CALM1 (0.43) ALDH1A1LMNAHTTKMT2A
SCHEMBL6603158 0.78 LDHA (0.49) PLAAT3PLAAT5PLAAT2PLAAT4UTS2R
SCHEMBL8341022 0.77 PTPN1 (0.45) ALDH1A1LMNAHTTNPSR1MEN1

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-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
EP-0729463-A1 5,6-DIHYDROPYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE DAVIS & COMPANY (US) 1996-09-04 EP disclosed
EP-0729464-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