SCHEMBL5449232

SCHEMBL5449232

CCc1cc(SCc2sc(-c3ccc(C(F)(F)F)cc3)nc2CN2CCN(c3ccccc3C)CC2)ccc1OCC(=O)O

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 20/20 0.57
PPARA Q07869 9/20 0.57
PPARG P37231 3/20 0.57
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
KMT2A Q03164 1/20 0.46
HSD17B10 Q99714 1/20 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
SCHEMBL4806287 0.94 PPARD (0.66) PPARDPPARAPPARGMEN1ALDH1A1
SCHEMBL4809868 0.89 PPARD (0.56) PPARDPPARAPPARGMEN1ALDH1A1
SCHEMBL4862528 0.88 PPARD (0.53) PPARDPPARAPPARGMEN1ALDH1A1
SCHEMBL4801318 0.88 PPARD (0.63) PPARDPPARAPPARGMEN1ALDH1A1
SCHEMBL4809791 0.88 PPARD (0.69) PPARDPPARAPPARGMEN1ALDH1A1
SCHEMBL4803795 0.88 PPARD (0.58) PPARDPPARAPPARGMEN1ALDH1A1
SCHEMBL4809886 0.87 PPARD (0.53) PPARDPPARAPPARGMEN1ALDH1A1
SCHEMBL4803322 0.87 PPARD (0.54) PPARDPPARAPPARGMEN1ALDH1A1
SCHEMBL2117360 0.87 PPARD (0.54) PPARDPPARAPPARGMEN1ALDH1A1
SCHEMBL4807493 0.87 PPARD (0.58) 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