SCHEMBL17483878

SCHEMBL17483878

CCCCCCCCCCOc1cc2c3c(cc(OCCCCCCCCCC)c4c5ccc6c7c(ccc(c1c34)c75)C(=O)N(C(CCCCCC)CCCCCC)C6=O)C(=O)N(C(CCCCCC)CCCCCC)C2=O

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 4/20 0.35
▸ PPARA Q07869 2/20 0.35
▸ CDC25A P30304 1/20 0.34
▸ CDC25B P30305 1/20 0.34
▸ CDC25C P30307 1/20 0.34
▸ PGAM1 P18669 1/20 0.34
▸ SMPD1 P17405 4/20 0.33
▸ TP53 P04637 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ TERT O14746 1/20 0.32
▸ ALOX5 P09917 1/20 0.32

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) PPARGPPARACDC25ACDC25BCDC25C
SCHEMBL17483956 0.98 CDC25A (0.36) PPARGPPARACDC25ACDC25BCDC25C
SCHEMBL17484032 0.97 PPARG (0.34) PPARGPPARACDC25ACDC25BCDC25C
SCHEMBL17190553 0.97 PPARG (0.35) PPARGPPARACDC25ACDC25BCDC25C
SCHEMBL17190554 0.97 PPARG (0.35) PPARGPPARACDC25ACDC25BCDC25C
SCHEMBL17483876 0.95 PPARG (0.34) PPARGPPARACDC25ACDC25BCDC25C
SCHEMBL17483954 0.94 CDC25A (0.36) PPARGPPARACDC25ACDC25BCDC25C
SCHEMBL17483873 0.93 KDM4E (0.32) PPARGPPARACDC25ACDC25BCDC25C
SCHEMBL17190546 0.93 PPARG (0.33) PPARGPPARACDC25ACDC25BCDC25C
SCHEMBL17483894 0.92 PPARG (0.34) 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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