Sugi Predict

Sugi Predict / Compounds / SCHEMBL7474048

SCHEMBL7474048

SCHEMBL7474048

CCOC(=O)C(C)(C)Oc1ccc(CNC(=O)c2sc(-c3ccc(F)cc3)nc2C)cc1.CCOC(=O)C(C)(C)Oc1ccc(CNC(=O)c2sc(-c3ccccc3)nc2C)cc1

nearest known ligand 0.79

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 18/20 0.79
▸ PPARD Q03181 7/20 0.68
▸ PPARG P37231 3/20 0.66
▸ NPC1 O15118 1/20 0.53
▸ HPGD P15428 1/20 0.53

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
SCHEMBL6582178 0.96 PPARA (0.81) PPARAPPARDPPARG
SCHEMBL6584483 0.95 PPARA (0.71) PPARAPPARDPPARGNPC1HPGD
SCHEMBL6584950 0.89 PPARA (0.81) PPARAPPARDPPARG
SCHEMBL6583337 0.89 PPARA (0.80) PPARAPPARDPPARG
SCHEMBL6582544 0.89 PPARA (0.72) PPARAPPARDPPARG
SCHEMBL6582904 0.88 PPARA (1.00) PPARAPPARDPPARG
SCHEMBL5185069 0.88 PPARA (0.82) PPARAPPARDPPARG
SCHEMBL6583153 0.88 PPARA (0.69) PPARAPPARDPPARG
SCHEMBL6581261 0.88 PPARA (0.81) PPARAPPARDPPARG
SCHEMBL6583565 0.88 PPARA (0.81) PPARAPPARDPPARG

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
EP-1244642-A1 SUBSTITUTED OXAZOLES AND THIAZOLES DERIVATIVES AS HPPAR ALPHA ACTIVATORS GLAXO GROUP LIMITED (GB) 2002-10-02 — — EP disclosed
WO-2001040207-A1 SUBSTITUTED OXAZOLES AND THIAZOLES DERIVATIVES AS HPPAR ALPHA ACTIVATORS GLAXO GROUP LIMITED (GB) 2001-06-07 — — WO disclosed