Sugi Predict

Sugi Predict / Compounds / SCHEMBL7107434

SCHEMBL7107434

SCHEMBL7107434

Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1CCOc1cccc(COC(C)(C)C(=O)O)c1

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PPARD Q03181 17/20 0.60
▸ PPARA Q07869 12/20 0.60
▸ PPARG P37231 9/20 0.60
▸ PTPN1 P18031 3/20 0.60
▸ FFAR1 O14842 4/20 0.51

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
SCHEMBL5848492 0.92 PPARD (0.62) PPARDPPARAPPARGFFAR1
SCHEMBL7103151 0.91 PTPN1 (0.53) PPARDPPARAPPARGPTPN1FFAR1
SCHEMBL5847997 0.83 PPARA (0.55) PPARDPPARAPPARGFFAR1
SCHEMBL5847993 0.83 PPARD (0.57) PPARDPPARAPPARGFFAR1
SCHEMBL5848682 0.82 PPARA (0.49) PPARDPPARAPPARG
SCHEMBL5475700 0.81 PPARD (0.78) PPARDPPARAPPARGFFAR1
SCHEMBL5847998 0.80 PPARD (0.48) PPARDPPARAPPARG
SCHEMBL5480585 0.79 PPARD (0.79) PPARDPPARAPPARGFFAR1
SCHEMBL5848494 0.79 PPARD (0.70) PPARDPPARAPPARGFFAR1
SCHEMBL6238259 0.78 PPARD (0.83) PPARDPPARAPPARGPTPN1FFAR1

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-1345916-A1 SUBSTITUTED OXAZOLES AND THIAZOLES AS HPPAR ALPHA AGONISTS GLAXO GROUP LIMITED (GB) 2003-09-24 — — EP disclosed
WO-2002050047-A1 SUBSTITUED OXAZOLES AND THIAZOLES AS HPPAR ALPHA AGONISTS GLAXO GROUP LIMITED (GB) 2002-06-27 — — WO disclosed