Sugi Predict

Sugi Predict / Compounds / SCHEMBL8007680

SCHEMBL8007680

SCHEMBL8007680

Cc1ccc(C(C)(C)C)c(SC2=C(O)CC(CCc3ccccc3)(c3ccc(OCCO[Si](C)(C)C(C)(C)C)cc3)OC2=O)c1

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ LDHA P00338 5/20 0.37
▸ MGAT2 Q10469 5/20 0.33
▸ LDHB P07195 2/20 0.30

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
SCHEMBL8008687 0.90 LDHA (0.41) LDHAMGAT2LDHB
SCHEMBL8010721 0.89 LDHA (0.37) LDHAMGAT2LDHB
SCHEMBL7758845 0.86 LDHA (0.48) LDHALDHB
SCHEMBL7999278 0.85 LTA4H (0.39) LDHAMGAT2
SCHEMBL8416462 0.84 MGAT2 (0.35) LDHAMGAT2
SCHEMBL8008735 0.82 KCNA5 (0.37) LDHA
SCHEMBL8010411 0.81 LDHA (0.40) LDHAMGAT2LDHB
SCHEMBL8010546 0.80 LDHA (0.40) LDHAMGAT2LDHB
SCHEMBL8010782 0.77 LDHA (0.38) LDHALDHB
SCHEMBL7998672 0.76 PPARG (0.34) MGAT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-1998019997-A2 DIHYDROPYRONES WITH IMPROVED ANTIVIRAL ACTIVITY WARNER-LAMBERT COMPANY (US) 1998-05-14 — — WO disclosed