SCHEMBL12970002

SCHEMBL12970002

CNc1ccc(C(=O)NCc2cc(CC(=O)O)ccc2Oc2ccc(C(=O)NCCc3ccc(Cl)cc3)cc2)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 9/20 0.47
PPARG P37231 2/20 0.47
PPARD Q03181 2/20 0.47
PPARA Q07869 2/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
ALDH1A1 P00352 1/20 0.45
FABP2 P12104 1/20 0.45
GAA P10253 2/20 0.45
PSEN1 P49768 1/20 0.42
PSEN2 P49810 1/20 0.42
APH1B Q8WW43 1/20 0.42
NCSTN Q92542 1/20 0.42
APH1A Q96BI3 1/20 0.42
PSENEN Q9NZ42 1/20 0.42
HTT P42858 1/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
CYP1A2 P05177 1/20 0.41

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
SCHEMBL2986449 0.89 EPHX2 (0.50) PTGDR2PPARGPPARDPPARAMEN1
SCHEMBL6756072 0.88 PPARG (0.47) PTGDR2PPARGPPARDPPARAMEN1
SCHEMBL2983981 0.85 MAPT (0.60) PTGDR2PPARGPPARDPPARAMEN1
SCHEMBL2982849 0.83 GAA (0.55) PTGDR2PPARGPPARDPPARASMN1; SMN2
SCHEMBL2981219 0.81 PPARA (0.52) PTGDR2PPARGPPARDPPARASMN1; SMN2
SCHEMBL2981095 0.81 HTT (0.63) PTGDR2PPARGPPARDPPARAKMT2A
SCHEMBL4078169 0.81 MCHR1 (0.55) PTGDR2PPARGPPARDPPARAKMT2A
SCHEMBL2983606 0.81 PPARA (0.49) PTGDR2PPARGPPARDPPARASMN1; SMN2
SCHEMBL4551247 0.79 SMN1; SMN2 (0.51) PTGDR2PPARGPPARDPPARAMEN1
SCHEMBL2984926 0.79 GAA (0.56) PTGDR2PPARGPPARDPPARASMN1; SMN2

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-B9 4-SUBSTITUTED PHENOXYPHENYLACETIC ACID DERIVATIVES ARRAY BIOPHARMA INC (US) 2012-12-26 EP disclosed
EP-2057115-B1 4-SUBSTITUTED PHENOXYPHENYLACETIC ACID DERIVATIVES ARRAY BIOPHARMA INC (US) 2012-10-03 EP disclosed