Sugi Predict

Sugi Predict / Compounds / SCHEMBL7108476

SCHEMBL7108476

SCHEMBL7108476

C=CCC(Oc1ccc(OC(C)(C)C(=O)OCC)c(C)c1)c1sc(-c2ccc(C(F)(F)F)cc2)nc1C.CCOC(=O)C(C)(C)Oc1ccc(OC(CC)c2sc(-c3ccc(C(F)(F)F)cc3)nc2C)cc1C

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PPARD Q03181 20/20 0.48
▸ PPARA Q07869 9/20 0.48
▸ PPARG P37231 2/20 0.46

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
SCHEMBL4830404 0.98 PPARD (0.48) PPARDPPARAPPARG
SCHEMBL7168718 0.95 PPARD (0.48) PPARDPPARAPPARG
SCHEMBL4826090 0.94 PPARD (0.53) PPARDPPARAPPARG
SCHEMBL4831880 0.94 PPARD (0.53) PPARDPPARAPPARG
SCHEMBL4822813 0.94 PPARD (0.53) PPARDPPARAPPARG
SCHEMBL7168709 0.93 PPARD (0.54) PPARDPPARAPPARG
SCHEMBL4830261 0.89 PPARD (0.57) PPARDPPARAPPARG
SCHEMBL4830306 0.88 PPARD (0.54) PPARDPPARAPPARG
SCHEMBL4828436 0.86 PPARD (0.55) PPARDPPARAPPARG
SCHEMBL4822468 0.86 PPARD (0.61) PPARDPPARAPPARG

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-1343773-A1 THIAZOLE DERIVATIVES FOR TRAEING PPAR RELATED DISORDERS GLAXO GROUP LIMITED (GB) 2003-09-17 — — EP claimed
WO-2002062774-A1 THIAZOLE DERIVATIVES FOR TREATING PPAR RELATED DISORDERS GLAXO GROUP LIMITED (GB) 2002-08-15 — — WO claimed