SCHEMBL17483882

SCHEMBL17483882

CCCCCCC(CCCCCC)N1C(=O)c2ccc3c4ccc5c6c(cc(OCCO)c(c7ccc(c2c37)C1=O)c64)C(=O)N(C(CCCCCC)CCCCCC)C5=O

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PSEN1 P49768 1/20 0.34
▸ PSEN2 P49810 1/20 0.34
▸ APH1B Q8WW43 1/20 0.34
▸ NCSTN Q92542 1/20 0.34
▸ APH1A Q96BI3 1/20 0.34
▸ PSENEN Q9NZ42 1/20 0.34
▸ PPARG P37231 3/20 0.32
▸ PPARA Q07869 2/20 0.32
▸ TERT O14746 3/20 0.32
▸ ALDH2 P05091 2/20 0.32
▸ CDC25A P30304 1/20 0.32
▸ CDC25B P30305 1/20 0.32
▸ CDC25C P30307 1/20 0.32
▸ PGAM1 P18669 1/20 0.31
▸ ALOX5 P09917 2/20 0.31
▸ PTPN11 Q06124 2/20 0.31
▸ STAT3 P40763 1/20 0.31
▸ HIF1A Q16665 1/20 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
SCHEMBL17483894 0.95 PPARG (0.34) PPARGPPARATERTALDH2CDC25A
SCHEMBL17483880 0.94 MEN1 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL17484032 0.94 PPARG (0.34) PPARGPPARATERTCDC25ACDC25B
SCHEMBL17483954 0.94 CDC25A (0.36) PPARGPPARATERTCDC25ACDC25B
SCHEMBL17483876 0.92 PPARG (0.34) PPARGPPARAALDH2CDC25ACDC25B
SCHEMBL17483956 0.91 CDC25A (0.36) PPARGPPARATERTCDC25ACDC25B
SCHEMBL17483878 0.91 PPARG (0.35) PPARGPPARATERTCDC25ACDC25B
SCHEMBL17483952 0.90 TERT (0.34) PPARGPPARATERTCDC25ACDC25B
SCHEMBL17483942 0.90 CDC25A (0.36) PPARGPPARAALDH2CDC25ACDC25B
SCHEMBL17190553 0.90 PPARG (0.35) PPARGPPARACDC25ACDC25BCDC25C

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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