SCHEMBL8602173

SCHEMBL8602173

NCCOCCOCCNCC(O)CO

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.46
HTR1A P08908 1/20 0.46
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM4E B2RXH2 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
SCHEMBL29624902 0.81 KDM4E (0.38) ADRB2HTR1AMEN1KMT2AKDM4E
SCHEMBL12220094 0.81 KDM4E (0.40) ADRB2HTR1AKDM4E
SCHEMBL13007998 0.79 ADRB2 (0.41) ADRB2HTR1AMEN1KMT2AKDM4E
SCHEMBL24864628 0.79 ADRB2 (0.36) ADRB2HTR1AMEN1KMT2AKDM4E
SCHEMBL1408867 0.78
SCHEMBL10550726 0.77 KDM4E (0.41) ADRB2KDM4E
SCHEMBL27291304 0.76 MEN1 (0.39) ADRB2HTR1AMEN1KMT2AKDM4E
SCHEMBL12976546 0.76 HTT (0.41) ADRB2HTR1AMEN1KMT2A
SCHEMBL18410852 0.76 ADRB2 (0.34) ADRB2HTR1AMEN1KMT2A
SCHEMBL27430711 0.76 ADRB2 (0.34) ADRB2HTR1AMEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0822835-A1 HYBRID MAGNETIC RESONANCE CONTRAST AGENTS IMARX PHARMACEUTICAL CORP. (US) 1998-02-11 EP disclosed
WO-1996032967-A1 HYBRID MAGNETIC RESONANCE CONTRAST AGENTS IMARX PHARMACEUTICAL CORPORATION (US) 1996-10-24 WO disclosed