SCHEMBL7440367

SCHEMBL7440367

O=C1OC(CCCCC(=O)N2CCNCC2)(c2ccccc2)CC(O)=C1SCc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LDHA P00338 2/20 0.39
TPSAB1 Q15661 4/20 0.35
TPSD1 Q9BZJ3 4/20 0.35
TPSG1 Q9NRR2 4/20 0.35
MMP2 P08253 7/20 0.34
MMP13 P45452 7/20 0.34
ADAMTS5 Q9UNA0 3/20 0.34
PLAU P00749 1/20 0.34
PRSS1 P07477 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MMP9 P14780 6/20 0.34
MMP8 P22894 6/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 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
SCHEMBL7436880 0.97 LDHA (0.39) LDHATPSAB1TPSD1TPSG1MMP2
SCHEMBL7443958 0.94 LDHA (0.40) LDHAMMP2MMP13ADAMTS5LMNA
SCHEMBL7445216 0.90 FKBP1A (0.45) LDHALMNAMAPTNPSR1NPC1
SCHEMBL7446029 0.89 LDHA (0.39) LDHAMMP2MMP13ADAMTS5LMNA
SCHEMBL7440990 0.89 LDHA (0.39) LDHAMMP2MMP13ADAMTS5LMNA
SCHEMBL7446712 0.87 FKBP1A (0.46) LDHALMNAMAPTNPC1RAB9A
SCHEMBL7438988 0.86 LDHA (0.39) LDHALMNAMAPTNPSR1NPC1
SCHEMBL7445180 0.86 LDHA (0.39) LDHALMNAMAPTNPSR1NPC1
SCHEMBL7444106 0.86 SIGMAR1 (0.41) LDHALMNANPC1RAB9A
SCHEMBL7448804 0.85 SIGMAR1 (0.42) LDHALMNANPC1RAB9A

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 12 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
EP-0729463-A1 5,6-DIHYDROPYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE DAVIS & COMPANY (US) 1996-09-04 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