SCHEMBL5469609

SCHEMBL5469609

CCC(C)(Oc1ccc(SCc2sc(-c3ccc(C(F)(F)F)cc3)nc2CN2CCN(C(=O)C3CC3)CC2)cc1C)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 20/20 0.50
PPARA Q07869 18/20 0.50
PPARG P37231 8/20 0.50
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL5427445 0.87 PPARD (0.57) PPARDPPARAPPARGMEN1ALDH1A1
SCHEMBL5469620 0.86 PPARD (0.54) PPARDPPARAPPARGMEN1ALDH1A1
SCHEMBL5469612 0.86 PPARD (0.52) PPARDPPARAPPARGMEN1ALDH1A1
SCHEMBL4806979 0.85 PPARD (0.55) PPARDPPARAPPARGMEN1ALDH1A1
SCHEMBL4806449 0.85 PPARD (0.55) PPARDPPARAPPARGMEN1ALDH1A1
SCHEMBL4891955 0.84 PPARD (0.62) PPARDPPARAPPARGMEN1ALDH1A1
SCHEMBL4809738 0.84 PPARD (0.55) PPARDPPARAPPARGMEN1ALDH1A1
SCHEMBL4807795 0.84 PPARD (0.51) PPARDPPARAPPARGMEN1ALDH1A1
SCHEMBL4812301 0.84 PPARD (0.51) PPARDPPARAPPARGMEN1ALDH1A1
SCHEMBL4815055 0.83 PPARD (0.50) PPARDPPARAPPARGMEN1ALDH1A1

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
US-7229998-B2 Thiazole and oxazole derivatives as activators of human peroxisome proliferator activated receptors SMITHKLINE BEECHAM CORPORATION (US) 2007-06-12 US disclosed