SCHEMBL8416462

SCHEMBL8416462

Cc1ccc(C(C)(C)C)c(SC2=C(O)CC(CCc3ccccc3)(c3ccc(OCCC4CNCCN4)cc3)OC2=O)c1

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MGAT2 Q10469 3/20 0.35
LDHA P00338 2/20 0.34
LTA4H P09960 1/20 0.32

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 0.87 LDHA (0.41) MGAT2LDHA
SCHEMBL8415613 0.86 LDHA (0.30) LDHA
SCHEMBL7999278 0.85 LTA4H (0.39) MGAT2LDHALTA4H
SCHEMBL8007680 0.84 LDHA (0.37) MGAT2LDHA
SCHEMBL8010721 0.84 LDHA (0.37) MGAT2LDHA
SCHEMBL7758845 0.83 LDHA (0.48) LDHA
SCHEMBL8008735 0.79 KCNA5 (0.37) LDHALTA4H
SCHEMBL8010411 0.78 LDHA (0.40) MGAT2LDHA
SCHEMBL8010546 0.77 LDHA (0.40) MGAT2LDHA
SCHEMBL8010782 0.74 LDHA (0.38) 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 4 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
WO-1998019997-A2 DIHYDROPYRONES WITH IMPROVED ANTIVIRAL ACTIVITY WARNER-LAMBERT COMPANY (US) 1998-05-14 WO claimed
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