SCHEMBL7449879

SCHEMBL7449879

O=C1OC(CCCCN2CCSCC2)(c2ccccc2)CC(O)=C1SCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LDHA P00338 6/20 0.40
SIGMAR1 Q99720 1/20 0.33
SOAT1 P35610 1/20 0.33
LDHB P07195 2/20 0.32
MAPK1 P28482 1/20 0.32
TSHR P16473 1/20 0.32
OPRM1 P35372 1/20 0.31
KDM1A O60341 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HTR7 P34969 1/20 0.31

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
SCHEMBL7446413 0.97 LDHA (0.41) LDHASIGMAR1LDHBMAPK1TSHR
SCHEMBL7433477 0.93 LDHA (0.42) LDHASIGMAR1LDHBTSHRLMNA
SCHEMBL7450735 0.89 SIGMAR1 (0.42) LDHASIGMAR1OPRM1ALDH1A1HTR7
SCHEMBL7450659 0.89 MAPK1 (0.43) LDHASIGMAR1MAPK1ALDH1A1LMNA
SCHEMBL7444106 0.89 SIGMAR1 (0.41) LDHASIGMAR1ALDH1A1LMNAHTR7
SCHEMBL7441018 0.86 LDHA (0.41) LDHASIGMAR1LDHBMAPK1HTR7
SCHEMBL7443249 0.86 MAPK1 (0.44) LDHASIGMAR1MAPK1ALDH1A1LMNA
SCHEMBL7440990 0.86 LDHA (0.39) LDHAALDH1A1LMNANPSR1
SCHEMBL7448804 0.85 SIGMAR1 (0.42) LDHASIGMAR1LDHBMAPK1ALDH1A1
SCHEMBL7438988 0.85 LDHA (0.39) LDHASIGMAR1TSHRALDH1A1LMNA

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