SCHEMBL9049472

SCHEMBL9049472

CCc1cc(CCO)c(SC2=C(O)CC(CCc3ccccc3)(c3ccccc3)OC2=O)cc1CC

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
LDHA P00338 20/20 0.51
LDHB P07195 10/20 0.40

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
SCHEMBL7448194 0.85 LDHA (0.47) LDHALDHB
SCHEMBL7433339 0.81 LDHA (0.46) LDHALDHB
SCHEMBL6606098 0.79 LDHA (0.54) LDHALDHB
SCHEMBL8702418 0.79 LDHA (0.53) LDHALDHB
SCHEMBL6605314 0.79 LDHA (0.47) LDHALDHB
SCHEMBL6604694 0.79 LDHA (0.54) LDHALDHB
SCHEMBL6608097 0.78 LDHA (0.52) LDHALDHB
SCHEMBL8702422 0.78 LDHA (0.52) LDHALDHB
SCHEMBL8011472 0.78 LDHA (0.47) LDHALDHB
SCHEMBL6607939 0.77 LDHA (0.50) LDHALDHB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0729464-A1 5,6-DIHYDROPYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1996-09-04 EP disclosed