SCHEMBL8014126

SCHEMBL8014126

Cc1cc(SC2=C(O)CC(CCc3cccc(O)c3)(c3ccccc3)OC2=O)c(C(C)(C)C)cc1CO

nearest known ligand 0.44

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
LDHA P00338 17/20 0.44
LDHB P07195 9/20 0.35

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
SCHEMBL8011472 0.94 LDHA (0.47) LDHALDHB
SCHEMBL5880989 0.92 LDHA (0.45) LDHALDHB
SCHEMBL8008856 0.89 LDHA (0.44) LDHALDHB
SCHEMBL8014780 0.88 LDHA (0.32) LDHA
SCHEMBL5881162 0.83 LDHA (0.30) LDHA
SCHEMBL5881008 0.83 LDHA (0.30) LDHA
SCHEMBL5881003 0.83 LDHA (0.30) LDHA
SCHEMBL7758845 0.81 LDHA (0.48) LDHALDHB
SCHEMBL8010519 0.79 LDHA (0.32) LDHALDHB
SCHEMBL8702422 0.79 LDHA (0.52) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0935597-A2 DIHYDROPYRONES WITH IMPROVED ANTIVIRAL ACTIVITY WARNER-LAMBERT COMPANY (US) 1999-08-18 EP claimed
US-5834506-A TREATMENT OF HIV, AIDS; ANTIVIRAL ACTIVITY IMPROVED BY JUDICIOUS PLACEMENT OF POLAR SUBSTITUENTS WARNER-LAMBERT COMPANY (US) 1998-11-10 US claimed
WO-1998019997-A2 DIHYDROPYRONES WITH IMPROVED ANTIVIRAL ACTIVITY WARNER-LAMBERT COMPANY (US) 1998-05-14 WO claimed
US-6046355-A TOLUENE-4-THIOSULFONIC ACID S-ESTERS AS CHEMICAL INTERMEDIATES FOR VIRICIDES AND ASPARTYL PROTEASE INHIBITORS; AIDS WARNER-LAMBERT COMPANY (US) 2000-04-04 US disclosed
EP-0935597-A2 DIHYDROPYRONES WITH IMPROVED ANTIVIRAL ACTIVITY WARNER-LAMBERT COMPANY (US) 1999-08-18 EP disclosed
US-5834506-A TREATMENT OF HIV, AIDS; ANTIVIRAL ACTIVITY IMPROVED BY JUDICIOUS PLACEMENT OF POLAR SUBSTITUENTS WARNER-LAMBERT COMPANY (US) 1998-11-10 US disclosed
WO-1998019997-A2 DIHYDROPYRONES WITH IMPROVED ANTIVIRAL ACTIVITY WARNER-LAMBERT COMPANY (US) 1998-05-14 WO disclosed