SCHEMBL6586288

SCHEMBL6586288

CCOC(=O)C(C)(C)Oc1ccc(CC[AsH]C(=O)c2sc(-c3ccc(C(F)(F)F)cc3)nc2C)cc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 17/20 0.59
PPARD Q03181 11/20 0.57
PPARG P37231 6/20 0.57
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
HSP90AA1 P07900 1/20 0.48
MAPT P10636 1/20 0.48
CRHBP P24387 1/20 0.48
KMT2A Q03164 1/20 0.48
CRHR2 Q13324 1/20 0.48
NPC1 O15118 1/20 0.48
ALDH1A1 P00352 1/20 0.48
GAA P10253 1/20 0.48
FFAR1 O14842 1/20 0.45

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
SCHEMBL6582740 0.84 PPARA (0.82) PPARAPPARDPPARGNPC1ALDH1A1
SCHEMBL6586282 0.84 PPARA (0.53) PPARAPPARDPPARGKDM4EMEN1
SCHEMBL6584609 0.84 PPARA (0.70) PPARAPPARDPPARGKDM4EMEN1
SCHEMBL5185069 0.82 PPARA (0.82) PPARAPPARDPPARG
SCHEMBL6581920 0.82 PPARA (0.83) PPARAPPARDPPARGKDM4EMEN1
SCHEMBL6582734 0.79 PPARA (0.60) PPARAPPARDPPARGKDM4EMEN1
SCHEMBL14146513 0.79 PPARA (0.63) PPARAPPARDPPARGNPC1ALDH1A1
SCHEMBL4738083 0.77 PPARA (0.77) PPARAPPARDPPARGNPC1ALDH1A1
SCHEMBL4682532 0.77 PPARA (0.61) PPARAPPARDPPARGKDM4EMEN1
SCHEMBL14445995 0.77 PPARA (0.59) PPARAPPARDPPARGKDM4EMEN1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1244642-B1 SUBSTITUTED OXAZOLES AND THIAZOLES DERIVATIVES AS HPPAR ALPHA ACTIVATORS GLAXO GROUP LTD (GB) 2004-04-28 EP claimed