SCHEMBL17483954

SCHEMBL17483954

CCCCCCC(CCCCCC)N1C(=O)c2ccc3c4ccc5c6c(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
▸ TERT O14746 4/20 0.34
▸ STAT3 P40763 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ PPARG P37231 3/20 0.32
▸ PPARA Q07869 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ PGAM1 P18669 2/20 0.31
▸ ITGB3 P05106 2/20 0.31
▸ ITGA2B P08514 2/20 0.31
▸ PTPN1 P18031 1/20 0.31
▸ SLC2A1 P11166 1/20 0.30
▸ NPC1 O15118 1/20 0.30

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
SCHEMBL17484032 0.98 PPARG (0.34) CDC25ACDC25BCDC25CTERTSTAT3
SCHEMBL17483956 0.97 CDC25A (0.36) CDC25ACDC25BCDC25CTERTSTAT3
SCHEMBL17483942 0.96 CDC25A (0.36) CDC25ACDC25BCDC25CTDP1PPARG
SCHEMBL17483878 0.94 PPARG (0.35) CDC25ACDC25BCDC25CTERTPPARG
SCHEMBL17483882 0.94 PSEN1 (0.34) CDC25ACDC25BCDC25CTERTSTAT3
SCHEMBL17483952 0.94 TERT (0.34) CDC25ACDC25BCDC25CTERTSTAT3
SCHEMBL17190553 0.93 PPARG (0.35) CDC25ACDC25BCDC25CPPARGPPARA
SCHEMBL17190554 0.93 PPARG (0.35) CDC25ACDC25BCDC25CPPARGPPARA
SCHEMBL17483894 0.93 PPARG (0.34) CDC25ACDC25BCDC25CTERTPPARG
SCHEMBL17484031 0.91 TERT (0.32) TERTSTAT3HIF1AMAPT

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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