SCHEMBL6606331

SCHEMBL6606331

N#Cc1cccc(CSC2=C(O)CC(CCc3ccccc3)(c3ccccc3)OC2=O)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.41
LDHA P00338 2/20 0.41
CTSB P07858 1/20 0.40
GSK3A P49840 3/20 0.35
GSK3B P49841 3/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
FFAR1 O14842 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
EPHX1 P07099 1/20 0.35
TP53 P04637 1/20 0.35
CHRM3 P20309 1/20 0.35
HTR2B P41595 1/20 0.34
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
NAMPT P43490 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL6606612 0.86 LDHA (0.49) DAOLDHAMAOAMAOB
SCHEMBL6605927 0.85 LDHA (0.47) DAOLDHACTSBMAOBLMNA
SCHEMBL6606818 0.85 LDHA (0.43) DAOLDHATP53LMNAMEN1
SCHEMBL8342282 0.83 LDHA (0.41) LDHACTSBFFAR1TP53ALDH1A1
SCHEMBL6603256 0.82 DAO (0.44) DAOLDHAEPHX1MEN1ALDH1A1
SCHEMBL6603245 0.82 LDHA (0.41) DAOLDHACTSBTP53LMNA
SCHEMBL6607939 0.81 LDHA (0.50) LDHAMAOAMAOB
SCHEMBL7446287 0.81 LDHA (0.44) DAOLDHAGSK3AGSK3BMAPK1
SCHEMBL7446994 0.81 LDHA (0.44) DAOLDHACTSBMAOAMAOB
SCHEMBL6604754 0.80 HPGD (0.42) DAOLDHALMNAALDH1A1MAPT

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-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