SCHEMBL17483956

SCHEMBL17483956

CCCCCCC(CCCCCC)N1C(=O)c2ccc3c4c(OCCCC)cc5c6c(cc(OCCCC)c(c7ccc(c2c37)C1=O)c64)C(=O)N(C(CCCCCC)CCCCCC)C5=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDC25A P30304 1/20 0.36
▸ CDC25B P30305 1/20 0.36
▸ CDC25C P30307 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.33
▸ PTPN1 P18031 1/20 0.33
▸ PPARG P37231 3/20 0.33
▸ PPARA Q07869 2/20 0.33
▸ ALDH1A1 P00352 3/20 0.32
▸ MAPT P10636 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ TERT O14746 2/20 0.32
▸ PGAM1 P18669 2/20 0.32
▸ ITGB3 P05106 2/20 0.32
▸ ITGA2B P08514 2/20 0.32
▸ STAT3 P40763 1/20 0.31
▸ HIF1A Q16665 1/20 0.31
▸ SLC2A1 P11166 1/20 0.31
▸ MEN1 O00255 2/20 0.31

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
SCHEMBL17483942 0.99 CDC25A (0.36) CDC25ACDC25BCDC25CTDP1PTPN1
SCHEMBL17483878 0.98 PPARG (0.35) CDC25ACDC25BCDC25CPPARGPPARA
SCHEMBL17483954 0.97 CDC25A (0.36) CDC25ACDC25BCDC25CTDP1PTPN1
SCHEMBL17484032 0.94 PPARG (0.34) CDC25ACDC25BCDC25CPPARGPPARA
SCHEMBL17190554 0.94 PPARG (0.35) CDC25ACDC25BCDC25CPPARGPPARA
SCHEMBL17190553 0.94 PPARG (0.35) CDC25ACDC25BCDC25CPPARGPPARA
SCHEMBL17483873 0.93 KDM4E (0.32) CDC25ACDC25BCDC25CPPARGPPARA
SCHEMBL17483876 0.93 PPARG (0.34) CDC25ACDC25BCDC25CPPARGPPARA
SCHEMBL17483951 0.91 PTGS2 (0.33) CDC25ACDC25BCDC25CLMNANPC1
SCHEMBL17483882 0.91 PSEN1 (0.34) CDC25ACDC25BCDC25CPPARGPPARA

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
WO-2016016498-A1 METHOD FOR PRODUCING PDI DERIVATIVES UNIVERSIDAD MIGUEL HERNANDEZ DE ELCHE (ES) 2016-02-04 — — WO disclosed
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