SCHEMBL8773446

SCHEMBL8773446

CCOC(=O)c1c(C(=O)O)ccc2cc(O)ccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.54
CA1 P00915 4/20 0.54
CA2 P00918 4/20 0.54
CA7 P43166 4/20 0.54
CA9 Q16790 4/20 0.54
CA14 Q9ULX7 4/20 0.54
GAA P10253 6/20 0.49
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
LMNA P02545 4/20 0.47
ALDH1A1 P00352 3/20 0.47
HPGD P15428 3/20 0.47
KDM4E B2RXH2 3/20 0.47
MAPT P10636 3/20 0.47
HSD17B10 Q99714 2/20 0.47
MAPK10 P53779 1/20 0.47
MIF P14174 1/20 0.47
PFKFB3 Q16875 1/20 0.47
MAOA P21397 1/20 0.47
MAOB P27338 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
SCHEMBL5066783 0.86 CA12 (0.48) CA12CA1CA2CA7CA9
SCHEMBL4954414 0.81 CA12 (0.62) CA12CA1CA2CA7CA9
SCHEMBL11056026 0.81 CDC25B (0.55) CA12CA1CA2CA7CA9
SCHEMBL2187409 0.80 CA12 (0.52) CA12CA1CA2CA7CA9
SCHEMBL10536669 0.79 CDC25B (0.56) CA12CA1CA2CA7CA9
SCHEMBL9274158 0.79 CA12 (0.50) CA12CA1CA2CA7CA9
SCHEMBL28302801 0.78 CA12 (0.57) CA12CA1CA2CA7CA9
SCHEMBL4943600 0.78 CA12 (0.57) CA12CA1CA2CA7CA9
SCHEMBL1097456 0.77 CA12 (0.70) CA12CA1CA2CA7CA9
SCHEMBL27811566 0.77 CA12 (0.70) CA12CA1CA2CA7CA9

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-0802938-A1 PROCESS FOR PRODUCING POLYETHYLENE NAPHTHALATE MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1997-10-29 EP disclosed
WO-1997017391-A1 PROCESS FOR PRODUCING POLYETHYLENE NAPHTHALATE MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1997-05-15 WO disclosed