SCHEMBL4681912

SCHEMBL4681912

COc1ccc(Cn2nc(-c3ccc(C(F)(F)F)cc3)cc2CBr)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 1/20 0.48
HSP90AA1 P07900 2/20 0.48
HSP90AB1 P08238 2/20 0.48
MAPT P10636 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ASIC1 P78348 2/20 0.45
ACP1 P24666 2/20 0.44
TP53 P04637 1/20 0.44
GRIN1 Q05586 1/20 0.44
GRIN2B Q13224 1/20 0.44
KDR P35968 1/20 0.43
TEK Q02763 1/20 0.43
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
NFKB1 P19838 1/20 0.43
RAB9A P51151 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL4683641 0.90 NPBWR1 (0.47) NPBWR1HSP90AA1HSP90AB1MAPTSMN1; SMN2
SCHEMBL14290243 0.88 GCGR (0.49) MAPTSMN1; SMN2ASIC1HDAC1
SCHEMBL13425858 0.85 MEN1 (0.54) NPBWR1MAPTSMN1; SMN2TP53KDM4E
SCHEMBL4684515 0.84 MEN1 (0.50) MAPTSMN1; SMN2GRIN1GRIN2BTDP1
SCHEMBL14445949 0.78 GCGR (0.51) MAPTSMN1; SMN2ASIC1HDAC1
SCHEMBL4679427 0.78 TLR8 (0.41) TEKKDM4EALDH1A1HDAC3HDAC4
SCHEMBL22613601 0.78 MAPT (0.44) NPBWR1MAPTSMN1; SMN2TP53KDR
SCHEMBL4682039 0.78 MAPT (0.76) NPBWR1HSP90AA1MAPTSMN1; SMN2ASIC1
SCHEMBL14290129 0.78 MAPT (0.58) NPBWR1HSP90AA1HSP90AB1MAPTSMN1; SMN2
SCHEMBL4679240 0.76 GCGR (0.51) MAPTSMN1; SMN2ALDH1A1TDP1HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1513796-B1 PHENYLOXYALKANOIC ACID DERIVATIVES AS HPPAR ACTIVATORS SMITHKLINE BEECHAM CORP (US) 2008-02-13 EP disclosed
US-7241793-B2 Phenyloxyalkanonic acid derivatives as hPPAR activators SMITHKLINE BEECHAM CORPORATION (US) 2007-07-10 US disclosed
EP-1513796-A2 PHENYLOXYALKANOIC ACID DERIVATIVES AS HPPAR ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2005-03-16 EP disclosed
WO-2004000785-A2 PHENYLOXYALKANONIC ACID DERIVATIVES AS HPPAR ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2003-12-31 WO disclosed