SCHEMBL4551247

SCHEMBL4551247

O=C(O)Cc1ccc(Oc2ccc(C(=O)NCCc3ccc(Cl)cc3)cc2)c(CNCc2cccnc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.51
HTT P42858 2/20 0.51
MAPT P10636 1/20 0.51
NAMPT P43490 1/20 0.49
TBXAS1 P24557 2/20 0.47
TBXA2R P21731 1/20 0.47
LMNA P02545 1/20 0.46
MMP13 P45452 1/20 0.46
PTGDR2 Q9Y5Y4 2/20 0.46
MAPK14 Q16539 1/20 0.45
SNCA P37840 1/20 0.45
KMT2A Q03164 4/20 0.45
MEN1 O00255 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
GAA P10253 2/20 0.44
MCHR1 Q99705 1/20 0.44
ALDH1A1 P00352 1/20 0.43
FABP2 P12104 1/20 0.43
PPARG P37231 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
SCHEMBL2983981 0.90 MAPT (0.60) SMN1; SMN2HTTMAPTNAMPTTBXAS1
SCHEMBL2983375 0.87 NAMPT (0.49) SMN1; SMN2MAPTNAMPTTBXAS1TBXA2R
SCHEMBL2982849 0.82 GAA (0.55) SMN1; SMN2HTTMAPTPTGDR2NPC1
SCHEMBL4078169 0.81 MCHR1 (0.55) SMN1; SMN2HTTMAPTPTGDR2KMT2A
SCHEMBL2986449 0.80 EPHX2 (0.50) SMN1; SMN2MAPTPTGDR2MAPK14KMT2A
SCHEMBL2981219 0.80 PPARA (0.52) SMN1; SMN2HTTMAPTPTGDR2NPC1
SCHEMBL2983975 0.80 MAPT (0.55) SMN1; SMN2HTTMAPTNAMPTTBXAS1
SCHEMBL2981095 0.79 HTT (0.63) SMN1; SMN2HTTMAPTPTGDR2KMT2A
SCHEMBL2983606 0.79 PPARA (0.49) SMN1; SMN2HTTMAPTPTGDR2NPC1
SCHEMBL12970002 0.79 PTGDR2 (0.47) SMN1; SMN2HTTMAPTPTGDR2KMT2A

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-2057115-A1 4-SUBSTITUTED PHENOXYPHENYLACETIC ACID DERIVATIVES Array Biopharma, Inc. (US) 2009-05-13 EP disclosed
WO-2008024746-A1 4-SUBSTITUTED PHENOXYPHENYLACETIC ACID DERIVATIVES ARRAY BIOPHARMA, INC. (US) 2008-02-28 WO disclosed