Sugi Predict

Sugi Predict / Compounds / SCHEMBL7474641

SCHEMBL7474641

SCHEMBL7474641

Cc1nc(-c2ccc(C(C)C)cc2)sc1C(=O)NCc1ccc(OC(C)(C)C(=O)OC(=O)C(C)(C)Oc2ccc(CNC(=O)c3sc(-c4ccc([N+](=O)[O-])cc4)nc3C)cc2)cc1

nearest known ligand 0.76

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 18/20 0.76
▸ PPARD Q03181 6/20 0.61
▸ PPARG P37231 4/20 0.58
▸ RAB9A P51151 1/20 0.46
▸ GAA P10253 1/20 0.44

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
SCHEMBL7474631 0.93 PPARA (0.89) PPARAPPARDPPARGRAB9A
SCHEMBL7468397 0.89 PPARA (0.75) PPARAPPARDPPARG
SCHEMBL6580915 0.88 PPARA (0.82) PPARAPPARDPPARGRAB9A
SCHEMBL6582540 0.87 PPARA (1.00) PPARAPPARDPPARGRAB9A
SCHEMBL6582869 0.86 PPARA (0.67) PPARAPPARDPPARG
SCHEMBL7460632 0.86 PPARA (0.76) PPARAPPARDPPARGRAB9A
SCHEMBL6581303 0.85 PPARA (0.82) PPARAPPARDPPARG
SCHEMBL7468393 0.81 PPARA (0.88) PPARAPPARDPPARG
SCHEMBL7471721 0.80 PPARA (0.71) PPARAPPARDPPARGGAA
SCHEMBL7465097 0.80 PPARA (0.80) 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 claimed
WO-2001040207-A1 SUBSTITUTED OXAZOLES AND THIAZOLES DERIVATIVES AS HPPAR ALPHA ACTIVATORS GLAXO GROUP LIMITED (GB) 2001-06-07 — — WO claimed