Sugi Predict

Sugi Predict / Compounds / SCHEMBL6545314

SCHEMBL6545314

SCHEMBL6545314

CCCCCCCN(CCc1cccc(SC(C)(C)C(=O)O)c1)C(=O)Nc1ccc(F)cc1F.CCCCCCCN(CCc1cccc(SC(C)(C)C(=O)O)c1)C(=O)Nc1ccc(F)cc1F

nearest known ligand 0.82

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 3/20 0.82
▸ PPARA Q07869 3/20 0.82
▸ PPARD Q03181 1/20 0.82
▸ SOAT1 P35610 2/20 0.56
▸ SOAT2 O75908 1/20 0.50
▸ ACAT1 P24752 1/20 0.49

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
SCHEMBL6356255 1.00 PPARG (0.82) PPARGPPARAPPARDSOAT1SOAT2
SCHEMBL20280514 0.91 PPARG (1.00) PPARGPPARAPPARDSOAT1SOAT2
Gsk-9578 SCHEMBL68327 0.91 PPARG (1.00) PPARGPPARAPPARDSOAT1SOAT2
Gsk-9578 SCHEMBL30475595 0.91 PPARG (1.00) PPARGPPARAPPARDSOAT1SOAT2
SCHEMBL6356266 0.90 PPARG (0.68) PPARGPPARAPPARDSOAT1
SCHEMBL6359155 0.84 PPARG (0.66) PPARGPPARAPPARDSOAT1SOAT2
SCHEMBL16521916 0.83 PPARG (0.87) PPARGPPARAPPARDSOAT1SOAT2
SCHEMBL6359202 0.83 PPARA (0.68) PPARGPPARAPPARD
SCHEMBL6359236 0.82 PPARA (0.56) PPARGPPARAPPARD
SCHEMBL6359939 0.82 PPARG (0.84) PPARGPPARAPPARDSOAT1SOAT2

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-1372632-A1 PROLIFERATIVE ACTIVATOR RECEPTOR (PPAR) COMPOUNDS Pfizer Products Inc. (US) 2004-01-02 — — EP disclosed
WO-2002064130-A1 PROLIFERATIVE ACTIVATOR RECEPTOR (PPAR) COMPOUNDS PFIZER PRODUCTS INC. (US) 2002-08-22 — — WO disclosed