SCHEMBL8008478

SCHEMBL8008478

Cc1cc(SC2=C(O)CC(CCc3ccc(O)cc3)(CCc3ccc(O)cc3)OC2=O)c(C(C)(C)C)cc1N

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
LDHA P00338 8/20 0.33
LDHB P07195 3/20 0.33

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
SCHEMBL7637039 0.90 LDHA (0.31) LDHALDHB
SCHEMBL7637033 0.90 LDHA (0.31) LDHALDHB
Hydrochloric Acid SCHEMBL7999888 0.89 LDHA (0.33) LDHALDHB
SCHEMBL8010519 0.88 LDHA (0.32) LDHALDHB
SCHEMBL30583206 0.86 LDHA (0.31) LDHA
SCHEMBL4319566 0.86 LDHA (0.31) LDHA
SCHEMBL8011494 0.85 LDHA (0.33) LDHALDHB
SCHEMBL5880994 0.85 LDHA (0.31) LDHA
SCHEMBL8008398 0.85 LDHA (0.30) LDHA
SCHEMBL8010407 0.84 LDHA (0.30) LDHA

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