SCHEMBL2129231

SCHEMBL2129231

CCOC(=O)c1ccc(C(=O)OCC)c(-c2cccc3ccccc23)c1-c1cccc2ccccc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 3/20 0.62
KMT2A Q03164 4/20 0.58
MEN1 O00255 2/20 0.58
CDC25A P30304 1/20 0.58
CDC25C P30307 1/20 0.58
USP2 O75604 1/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
MAPT P10636 1/20 0.58
CYP2C9 P11712 1/20 0.58
ALOX15 P16050 1/20 0.58
CYP2C19 P33261 1/20 0.58
MAPK10 P53779 1/20 0.58
PTK2B Q14289 1/20 0.58
NCOA1 Q15788 1/20 0.58
NCOA3 Q9Y6Q9 1/20 0.58
TSHR P16473 1/20 0.54
ALDH1A1 P00352 6/20 0.51
KDM4E B2RXH2 4/20 0.51
FNTA P49354 1/20 0.50

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
SCHEMBL28004714 0.95 CDC25B (0.61) CDC25BKMT2AMEN1CDC25ACDC25C
SCHEMBL2129233 0.94 CDC25B (0.57) CDC25BKMT2AMEN1CDC25ACDC25C
SCHEMBL28726472 0.88 CDC25B (0.59) CDC25BKMT2AMEN1CDC25ACDC25C
SCHEMBL4072424 0.86 CDC25B (0.68) CDC25BKMT2AMEN1CDC25ACDC25C
SCHEMBL31674398 0.86 CDC25B (0.51) CDC25BKMT2AMEN1CDC25ACDC25C
SCHEMBL22610038 0.86 CDC25B (0.63) CDC25BKMT2AMEN1CDC25ACDC25C
SCHEMBL291900 0.85 CDC25B (0.62) CDC25BKMT2AMEN1CDC25ACDC25C
SCHEMBL18428555 0.85 CDC25B (0.67) CDC25BKMT2AMEN1CDC25ACDC25C
SCHEMBL29721440 0.84 CDC25B (0.54) CDC25BKMT2AMEN1CDC25ACDC25C
SCHEMBL6929804 0.84 CDC25B (0.54) CDC25BKMT2AMEN1CDC25ACDC25C

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-9175132-B2 Polymers comprising structural units which contain alkylalkoxy groups, blends comprising these polymers, and opto-electronic devices comprising these polymers and blends MERCK PATENT GMBH (DE) 2015-11-03 US disclosed
US-20120097938-A1 POLYMERS COMPRISING STRUCTURAL UNITS WHICH CONTAIN ALKYLALKOXY GROUPS, BLENDS COMPRISING THESE POLYMERS, AND OPTO-ELECTRONIC DEVICES COMPRISING THESE POLYMERS AND BLENDS MERCK PATENT GMBH (DE) 2012-04-26 US disclosed