SCHEMBL17484030

SCHEMBL17484030

CCCCCCC(CCCCCC)N1C(=O)c2ccc3c4c(OC)cc5c6c(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
▸ TOP1 P11387 3/20 0.34
▸ HTR1A P08908 3/20 0.33
▸ APP P05067 1/20 0.33
▸ BCHE P06276 1/20 0.33
▸ ACHE P22303 1/20 0.33
▸ PDIA4 P13667 1/20 0.33
▸ PDIA3 P30101 1/20 0.33
▸ PDIA6 Q15084 1/20 0.33
▸ TERT O14746 1/20 0.33
▸ PRMT1 Q99873 1/20 0.32
▸ TNF P01375 2/20 0.32
▸ STAT3 P40763 1/20 0.32
▸ HIF1A Q16665 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ PABPC1 P11940 1/20 0.32
▸ XBP1 P17861 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
SCHEMBL17483872 0.97 TERT (0.34) TOP1HTR1AAPPBCHEACHE
SCHEMBL17483878 0.90 PPARG (0.35) TERTMAPTSMPD1
SCHEMBL17483956 0.90 CDC25A (0.36) TERTSTAT3HIF1AKDM4EALDH1A1
SCHEMBL17483873 0.90 KDM4E (0.32) TERTTNFSTAT3HIF1AKDM4E
SCHEMBL17483942 0.89 CDC25A (0.36) KDM4EALDH1A1LMNAMAPTPTPN1
SCHEMBL17483961 0.87 TERT (0.30) TERTMAPT
SCHEMBL17483953 0.87 TERT (0.30) TERTMAPT
SCHEMBL17483952 0.87 TERT (0.34) TERTTNFSTAT3HIF1AKDM4E
SCHEMBL17483954 0.87 CDC25A (0.36) TERTSTAT3HIF1AKDM4EALDH1A1
SCHEMBL17484032 0.87 PPARG (0.34) TERTSTAT3HIF1AMAPTSMPD1

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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