SCHEMBL7635120

SCHEMBL7635120

Cc1cc(SC2=C(O)CC(CCc3ccc(N)cc3)(C(C)C)OC2=O)c(C(C)(C)C)cc1CO

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
LDHA P00338 2/20 0.31
LDHB P07195 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
SCHEMBL7633268 1.00 LDHA (0.31) LDHALDHB
SCHEMBL29732123 1.00 LDHA (0.31) LDHALDHB
SCHEMBL7642626 0.94 LDHA (0.31) LDHA
SCHEMBL6296292 0.90 LDHA (0.30) LDHALDHB
SCHEMBL8011494 0.90 LDHA (0.33) LDHALDHB
SCHEMBL6298356 0.89
SCHEMBL7633261 0.88 LDHA (0.34) LDHALDHB
SCHEMBL7633253 0.88 LDHA (0.34) LDHALDHB
SCHEMBL6296398 0.88 LDHA (0.33) LDHALDHB
SCHEMBL6303245 0.88 LDHA (0.33) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6380400-B1 DIMETHYLTHIOCARBAMIC ACID ESTER; VIRICIDES FEDIJ VICTOR (US) 2002-04-30 US disclosed
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
WO-2000015625-A2 METHODS OF MAKING DIHYDROPYRONE HIV PROTEASE INHIBITORS WARNER-LAMBERT COMPANY (US) 2000-03-23 WO disclosed
EP-0935597-A2 DIHYDROPYRONES WITH IMPROVED ANTIVIRAL ACTIVITY WARNER-LAMBERT COMPANY (US) 1999-08-18 EP disclosed
WO-1998019997-A2 DIHYDROPYRONES WITH IMPROVED ANTIVIRAL ACTIVITY WARNER-LAMBERT COMPANY (US) 1998-05-14 WO disclosed