SCHEMBL712184

SCHEMBL712184

CNS(=O)(=O)c1ccc(C(O)c2cc(C(O)C(=O)OC)cc3ccc(F)cc23)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
GAA P10253 2/20 0.37
RAB9A P51151 1/20 0.37
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
PTGDR2 Q9Y5Y4 7/20 0.36
LMNA P02545 3/20 0.34
KDM4E B2RXH2 2/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.32
ALDH1A1 P00352 1/20 0.32
ALDH3A1 P30838 1/20 0.32
PKM P14618 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL709413 0.82 PTGDR2 (0.38) MEN1KMT2AGAARAB9APTGDR2
SCHEMBL710466 0.80 PTGDR2 (0.46) PTGDR2
SCHEMBL711075 0.71 PTGDR2 (0.43) PTGDR2MAPK1
SCHEMBL708188 0.67 PTGDR2 (0.53) PTGDR2MAPK1
SCHEMBL710595 0.67 PTGDR2 (0.45) PTGDR2
SCHEMBL1566971 0.66 HDAC3 (0.46) MEN1KMT2AGAALMNAHTT
SCHEMBL1566235 0.66 HDAC3 (0.46) MEN1KMT2AGAALMNAHTT
SCHEMBL710381 0.65 PTGDR2 (0.44) MEN1KMT2AGAARAB9APTGDR2
SCHEMBL710096 0.64 PTGDR2 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL708384 0.64 PTGDR2 (0.40) MEN1KMT2AGAARAB9APTGDR2

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
US-8124629-B2 Naphthylacetic acids HOFFMANN-LA ROCHE INC. (US) 2012-02-28 US disclosed
EP-2346807-A1 NAPHTHYLACETIC ACIDS F. Hoffmann-La Roche AG (CH) 2011-07-27 EP disclosed