SCHEMBL7440990

SCHEMBL7440990

O=C1OC(CCCCC(=O)N2CCSCC2)(c2ccccc2)CC(O)=C1SCc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LDHA P00338 2/20 0.39
FAAH O00519 3/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 1/20 0.33
FKBP1A P62942 1/20 0.33
NAAA Q02083 4/20 0.32
MMP2 P08253 2/20 0.32
MMP13 P45452 2/20 0.32
ADAMTS5 Q9UNA0 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
MMP9 P14780 1/20 0.32
MMP8 P22894 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL7438988 0.97 LDHA (0.39) LDHAFAAHLMNAMAPTNPSR1
SCHEMBL7445853 0.94 LDHA (0.40) LDHAMAPTNPC1RAB9AFKBP1A
SCHEMBL7445216 0.90 FKBP1A (0.45) LDHALMNAMAPTNPSR1NPC1
SCHEMBL7440367 0.89 LDHA (0.39) LDHALMNAMAPTNPSR1NPC1
SCHEMBL7446029 0.89 LDHA (0.39) LDHAFAAHLMNAMAPTNPSR1
SCHEMBL7446712 0.87 FKBP1A (0.46) LDHALMNAMAPTNPC1RAB9A
SCHEMBL7445180 0.86 LDHA (0.39) LDHALMNAMAPTNPSR1NPC1
SCHEMBL7436880 0.86 LDHA (0.39) LDHALMNAMAPTNPSR1NPC1
SCHEMBL7449879 0.86 LDHA (0.40) LDHALMNANPSR1ALDH1A1
SCHEMBL7446413 0.85 LDHA (0.41) LDHALMNANPSR1ALDH1A1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0729463-B1 5,6-DIHYDROPYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE DAVIS & CO (US) 2002-05-22 EP claimed
WO-1995014011-A2 5,6-DIHYDROPYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1995-05-26 WO claimed
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-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