SCHEMBL6604754

SCHEMBL6604754

O=C1OC(CCc2ccccc2)(c2ccccc2)CC(O)=C1SCc1ccc2c(c1)OCO2

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.42
ALDH1A1 P00352 3/20 0.42
MAPT P10636 2/20 0.41
LDHA P00338 1/20 0.41
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
EDNRA P25101 2/20 0.40
CALM1 P0DP23 2/20 0.40
EDNRB P24530 1/20 0.40
TDP1 Q9NUW8 2/20 0.39
TSHR P16473 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
DAO P14920 1/20 0.39
PKM P14618 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL6605273 0.96 HPGD (0.44) HPGDALDH1A1MAPTLDHANPC1
SCHEMBL6606612 0.86 LDHA (0.49) LDHADAO
SCHEMBL6605927 0.83 LDHA (0.47) HPGDALDH1A1LDHASMN1; SMN2DAO
SCHEMBL6606818 0.83 LDHA (0.43) HPGDALDH1A1MAPTLDHANPC1
SCHEMBL7446994 0.83 LDHA (0.44) LDHASMN1; SMN2DAOLMNA
SCHEMBL7445375 0.82 CALM1 (0.43) HPGDALDH1A1NPC1RAB9AEDNRA
SCHEMBL6607939 0.81 LDHA (0.50) LDHA
SCHEMBL7446287 0.81 LDHA (0.44) ALDH1A1LDHANPC1RAB9ASMN1; SMN2
SCHEMBL6606331 0.80 DAO (0.41) ALDH1A1MAPTLDHATSHRDAO
SCHEMBL6603245 0.80 LDHA (0.41) ALDH1A1LDHANPC1RAB9AEDNRA

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 5 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
WO-1995014011-A2 5,6-DIHYDROPYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1995-05-26 WO disclosed