SCHEMBL7445625

SCHEMBL7445625

CC(C)c1ccccc1C(=O)C1=C(O)CC(CCc2ccccc2)(c2ccccc2)OC1=O

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LDHA P00338 2/20 0.37
SOAT1 P35610 1/20 0.33
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
EGFR P00533 1/20 0.33
WRN Q14191 1/20 0.32
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRL1 P41146 1/20 0.32
HSP90AA1 P07900 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
ASAH1 Q13510 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL6295561 0.81 LMNA (0.35) LDHASOAT1GAAL3MBTL1EGFR
SCHEMBL7077924 0.80 LDHA (0.34) LDHAGAAL3MBTL1EGFRWRN
SCHEMBL6604694 0.79 LDHA (0.54) LDHA
SCHEMBL9026452 0.77 WRN (0.36) LDHAGAAL3MBTL1EGFRWRN
SCHEMBL7439121 0.75 ALDH1A1 (0.40) LDHAGAAL3MBTL1EGFRWRN
SCHEMBL7439117 0.75 ALDH1A1 (0.40) LDHAGAAL3MBTL1EGFRWRN
SCHEMBL6608872 0.74 LDHA (0.41) LDHAGAAL3MBTL1EGFRWRN
SCHEMBL6602959 0.74 LDHA (0.41) LDHAGAAL3MBTL1EGFRWRN
SCHEMBL6603481 0.74 ASAH1 (0.34) LDHASMN1; SMN2ASAH1
SCHEMBL7440835 0.74 MAPT (0.41) L3MBTL1TSHRSMN1; SMN2NPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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