SCHEMBL6603207

SCHEMBL6603207

O=C1OC(c2ccccc2)(c2ccccc2)CC(O)=C1CCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LDHA P00338 7/20 0.47
LDHB P07195 7/20 0.47
XIAP P98170 2/20 0.40
WRN Q14191 1/20 0.37
DAO P14920 3/20 0.36
TSHR P16473 2/20 0.35
CHRM2 P08172 2/20 0.35
LMNA P02545 1/20 0.35
ADRA2A P08913 1/20 0.35
CYP2D6 P10635 1/20 0.35
DRD1 P21728 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CHRM3 P20309 1/20 0.34
FFAR1 O14842 1/20 0.34
GPR84 Q9NQS5 1/20 0.34

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
SCHEMBL6606184 0.92 LDHA (0.45) LDHALDHBXIAPLMNASMN1; SMN2
SCHEMBL6604456 0.87 LDHA (0.48) LDHALDHBWRNCHRM2CHRM3
SCHEMBL9026058 0.82 LDHA (0.43) LDHALDHBDAOGPR84
SCHEMBL9046037 0.82 LDHA (0.54) LDHALDHBDAO
SCHEMBL6608872 0.82 LDHA (0.41) LDHAXIAPWRNDAOTSHR
SCHEMBL6603498 0.80 LDHA (0.57) LDHALDHBGPR84
SCHEMBL6604202 0.78 LDHA (0.59) LDHALDHBDAO
SCHEMBL6605852 0.78 LDHA (0.41) LDHALDHBXIAPDAOCHRM2
SCHEMBL7437581 0.78 LDHA (0.44) LDHALDHBCHRM2CHRM3
SCHEMBL9048781 0.77 LDHA (0.38) LDHALDHBXIAPDAOCHRM2

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 9 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-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