SCHEMBL11537261

SCHEMBL11537261

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.59
GAA P10253 4/20 0.58
ALDH1A1 P00352 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA7 P43166 1/20 0.53
CA9 Q16790 1/20 0.53
CA14 Q9ULX7 1/20 0.53
PLK1 P53350 1/20 0.52
TSHR P16473 1/20 0.50
KDM4E B2RXH2 1/20 0.50
HPGD P15428 1/20 0.50
CYP19A1 P11511 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
MAPT P10636 1/20 0.47

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
SCHEMBL11445707 0.89 GPR35 (0.59) GPR35GAAALDH1A1L3MBTL1TSHR
SCHEMBL11445340 0.88 GPR35 (0.58) GPR35GAAALDH1A1L3MBTL1TSHR
SCHEMBL11445325 0.87 GPR35 (0.57) GPR35GAAALDH1A1L3MBTL1PLK1
SCHEMBL30785986 0.84 GAA (0.74) GPR35GAAALDH1A1L3MBTL1TSHR
SCHEMBL9408748 0.84 GAA (0.74) GPR35GAAALDH1A1L3MBTL1TSHR
SCHEMBL11543068 0.82 GAA (0.62) GPR35GAAALDH1A1L3MBTL1KDM4E
SCHEMBL11447742 0.81 GAA (0.64) GPR35GAAALDH1A1L3MBTL1TSHR
SCHEMBL11535902 0.79 GPR35 (0.68) GPR35GAAALDH1A1L3MBTL1KDM4E
SCHEMBL11446149 0.78 GPR35 (0.46) GPR35GAAALDH1A1L3MBTL1PLK1
SCHEMBL2484868 0.77 GPR35 (0.75) 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-4160100-A OXAMIC ACID DERIVATIVES AMERICAN HOME PRODUCTS CORPORATION (US) 1979-07-03 US claimed