SCHEMBL17483872

SCHEMBL17483872

CCCCCCC(CCCCCC)N1C(=O)c2ccc3c4ccc5c6c(cc(OC)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
▸ TERT O14746 4/20 0.34
▸ TOP1 P11387 3/20 0.33
▸ STAT3 P40763 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ APP P05067 1/20 0.32
▸ BCHE P06276 1/20 0.32
▸ ACHE P22303 1/20 0.32
▸ HTR1A P08908 3/20 0.32
▸ PDIA4 P13667 1/20 0.32
▸ PDIA3 P30101 1/20 0.32
▸ PDIA6 Q15084 1/20 0.32
▸ PRMT1 Q99873 1/20 0.32
▸ TNF P01375 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ PABPC1 P11940 1/20 0.31
▸ XBP1 P17861 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
SCHEMBL17484030 0.97 TOP1 (0.34) TERTTOP1STAT3HIF1AAPP
SCHEMBL17483954 0.90 CDC25A (0.36) TERTSTAT3HIF1AKDM4EALDH1A1
SCHEMBL17483952 0.90 TERT (0.34) TERTSTAT3HIF1ATNFKDM4E
SCHEMBL17484032 0.90 PPARG (0.34) TERTSTAT3HIF1AMAPTSMPD1
SCHEMBL17484031 0.87 TERT (0.32) TERTSTAT3HIF1AMAPT
SCHEMBL17483874 0.87 TERT (0.32) TERTSTAT3HIF1AMAPT
SCHEMBL17483873 0.87 KDM4E (0.32) TERTSTAT3HIF1ATNFKDM4E
SCHEMBL17483956 0.87 CDC25A (0.36) TERTSTAT3HIF1AKDM4EALDH1A1
SCHEMBL17483878 0.87 PPARG (0.35) TERTMAPTSMPD1
SCHEMBL17483882 0.86 PSEN1 (0.34) TERTSTAT3HIF1A

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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