SCHEMBL21842271

SCHEMBL21842271

CC(=O)NCCCCCCCCCCCCN

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 5/20 1.00
HIF1A Q16665 2/20 0.76
KDM4E B2RXH2 1/20 0.76
MAPK1 P28482 1/20 0.76
ADRA1A P35348 1/20 0.59
SIRT6 Q8N6T7 1/20 0.51
SIRT1 Q96EB6 1/20 0.51
GNAI3 P08754 1/20 0.49
GNAO1 P09471 1/20 0.49
GNAI1 P63096 1/20 0.49
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
KDM4A O75164 1/20 0.46
TET2 Q6N021 1/20 0.46
DOHH Q9BU89 1/20 0.46
SLC6A5 Q9Y345 2/20 0.46
TSHR P16473 1/20 0.44
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL31532946 1.00 PAOX (1.00) PAOXHIF1AKDM4EMAPK1ADRA1A
SCHEMBL1409002 1.00 PAOX (1.00) PAOXHIF1AKDM4EMAPK1ADRA1A
SCHEMBL19816770 1.00 PAOX (1.00) PAOXHIF1AKDM4EMAPK1ADRA1A
SCHEMBL1408891 1.00 PAOX (1.00) PAOXHIF1AKDM4EMAPK1ADRA1A
SCHEMBL346746 1.00 PAOX (1.00) PAOXHIF1AKDM4EMAPK1ADRA1A
SCHEMBL1409041 1.00 PAOX (1.00) PAOXHIF1AKDM4EMAPK1ADRA1A
SCHEMBL7552315 1.00 PAOX (1.00) PAOXHIF1AKDM4EMAPK1ADRA1A
SCHEMBL285321 1.00 PAOX (1.00) PAOXHIF1AKDM4EMAPK1ADRA1A
SCHEMBL12006469 1.00 PAOX (1.00) PAOXHIF1AKDM4EMAPK1ADRA1A
SCHEMBL1409025 1.00 PAOX (1.00) PAOXHIF1AKDM4EMAPK1ADRA1A

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-2020069125-A1 DEGRADERS OF HEPATITIS C VIRUS NS3/4A PROTEIN DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-04-02 WO disclosed