SCHEMBL11333699

SCHEMBL11333699

CC(C)(C)C(=O)SC[C@H](NC(=O)C(C)(C)SC(=O)C(C)(C)C)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 5/20 0.33
▸ PPARA Q07869 5/20 0.33
▸ ACE P12821 7/20 0.33
▸ PPARD Q03181 2/20 0.32
▸ MME P08473 1/20 0.32
▸ ACE2 Q9BYF1 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
SCHEMBL4576379 0.88 PPARG (0.35) PPARGPPARAACEPPARDMME
SCHEMBL4576383 0.88 PPARG (0.35) PPARGPPARAACEPPARDMME
SCHEMBL11198946 0.84 ACE (0.47) PPARGPPARAACEMMEACE2
SCHEMBL8582126 0.81 MAPT (0.48) PPARGPPARAACE
SCHEMBL11337774 0.81 CPB2 (0.36) PPARGPPARAACEMMEACE2
SCHEMBL20122474 0.78 ACE (0.32) ACEMMEACE2
SCHEMBL11333708 0.78 ACE (0.34) PPARGPPARAACEMMEACE2
SCHEMBL18954453 0.76 PPARA (0.55) PPARGPPARAACEPPARD
SCHEMBL11130655 0.74 KDM4E (0.40) PPARGPPARAACEPPARDMME
SCHEMBL20122448 0.74 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4255446-A SUPPRESSING LIVER DISORDERS SANTEN PHARMACEUTICAL CO. LTD. (JP) 1981-03-10 — — US claimed
US-4255446-A SUPPRESSING LIVER DISORDERS SANTEN PHARMACEUTICAL CO. LTD. (JP) 1981-03-10 — — US disclosed
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