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SCHEMBL2169130

SCHEMBL2169130

Cc1c(C(C(=O)O)c2cc(C(O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)c3cc(F)ccc3c2)cc2ccc(F)cc2c1C(O)c1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 6/20 0.39
▸ TDO2 P48775 1/20 0.38
▸ PKM P14618 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ GCK P35557 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ USP2 O75604 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL710690 0.76 PTGDR2 (0.54) PTGDR2PKMKCNH2
SCHEMBL709938 0.69 PTGDR2 (0.67) PTGDR2
SCHEMBL708188 0.67 PTGDR2 (0.53) PTGDR2TSHRTDP1
SCHEMBL2172059 0.64 PTGDR2 (0.62) PTGDR2SMN1; SMN2
SCHEMBL184524 0.64 GCK (0.61) PKMALDH1A1GCKTSHRSMN1; SMN2
SCHEMBL12793723 0.64 POLB (0.73) ALDH1A1TSHRSMN1; SMN2USP2
SCHEMBL711075 0.63 PTGDR2 (0.43) PTGDR2TSHRTDP1
SCHEMBL27823481 0.62 PTGDR2 (0.40) PTGDR2
SCHEMBL2769910 0.62 POLB (0.73) PKMALDH1A1TSHRSMN1; SMN2
SCHEMBL711593 0.61 PTGDR2 (0.56) PTGDR2ALDH1A1

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-2346807-A1 NAPHTHYLACETIC ACIDS F. Hoffmann-La Roche AG (CH) 2011-07-27 — — EP claimed
WO-2010055005-A1 NAPHTHYLACETIC ACIDS F. HOFFMANN-LA ROCHE AG (CH) 2010-05-20 — — WO claimed