SCHEMBL11538017

SCHEMBL11538017

CCOC(=O)C(=O)Nc1cccc(O)c1C(N)=O

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 4/20 0.61
GAA P10253 4/20 0.52
ALDH1A1 P00352 4/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA7 P43166 1/20 0.51
CA9 Q16790 1/20 0.51
CA14 Q9ULX7 1/20 0.51
KDM4E B2RXH2 1/20 0.45
HPGD P15428 1/20 0.45
MAPT P10636 1/20 0.44
CDC25B P30305 1/20 0.43
KMT2A Q03164 1/20 0.43
GRM4 Q14833 1/20 0.41
CYP19A1 P11511 2/20 0.40

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
SCHEMBL11535902 0.91 GPR35 (0.68) GPR35GAAALDH1A1L3MBTL1KDM4E
SCHEMBL688886 0.87 GPR35 (0.62) GPR35GAAALDH1A1L3MBTL1KDM4E
SCHEMBL11455527 0.85 GPR35 (0.68) GPR35GAAALDH1A1L3MBTL1KDM4E
SCHEMBL689045 0.85 GPR35 (0.59) GPR35GAAALDH1A1L3MBTL1KDM4E
SCHEMBL11453402 0.84 GPR35 (0.58) GPR35GAAALDH1A1L3MBTL1KDM4E
SCHEMBL11445340 0.84 GPR35 (0.58) GPR35GAAALDH1A1L3MBTL1KDM4E
SCHEMBL11444985 0.83 GPR35 (0.57) GPR35GAAALDH1A1L3MBTL1KDM4E
SCHEMBL11446019 0.83 GPR35 (0.57) GPR35GAAALDH1A1L3MBTL1KDM4E
SCHEMBL11445190 0.81 GPR35 (0.54) GPR35GAAALDH1A1L3MBTL1KDM4E
SCHEMBL11445171 0.81 GPR35 (0.54) GPR35GAAALDH1A1L3MBTL1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4137325-A Antisecretory oxamic acid esters AMERICAN HOME PRODUCTS CORPORATION (US) 1979-01-30 US disclosed