SCHEMBL17483876

SCHEMBL17483876

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 4/20 0.34
▸ PPARA Q07869 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ RGS12 O14924 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ PABPC1 P11940 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ PGAM1 P18669 1/20 0.33
▸ SMPD1 P17405 5/20 0.32
▸ ALDH2 P05091 1/20 0.32
▸ CDC25A P30304 1/20 0.32
▸ CDC25B P30305 1/20 0.32
▸ CDC25C P30307 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
SCHEMBL17483894 0.97 PPARG (0.34) PPARGPPARAKDM4EMEN1RGS12
SCHEMBL17483878 0.95 PPARG (0.35) PPARGPPARAPGAM1SMPD1CDC25A
SCHEMBL17483942 0.94 CDC25A (0.36) PPARGPPARAKDM4EALDH1A1LMNA
SCHEMBL17483956 0.93 CDC25A (0.36) PPARGPPARAKDM4EMEN1NPC1
SCHEMBL17483882 0.92 PSEN1 (0.34) PPARGPPARAPGAM1ALDH2CDC25A
SCHEMBL17484032 0.92 PPARG (0.34) PPARGPPARAPGAM1SMPD1CDC25A
SCHEMBL17190553 0.92 PPARG (0.35) PPARGPPARAPGAM1SMPD1CDC25A
SCHEMBL17190554 0.92 PPARG (0.35) PPARGPPARAPGAM1SMPD1CDC25A
SCHEMBL17483954 0.90 CDC25A (0.36) PPARGPPARAKDM4EMEN1NPC1
SCHEMBL17483873 0.89 KDM4E (0.32) PPARGPPARAKDM4EMEN1RECQL

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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