SCHEMBL9705177

SCHEMBL9705177

O=C(O)C(CCCCOC1CCCCO1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
KDM4C Q9H3R0 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
ADORA3 P0DMS8 1/20 0.31
KDM4E B2RXH2 2/20 0.31
SLC6A3 Q01959 2/20 0.31
LMNA P02545 1/20 0.30
POLB P06746 1/20 0.30
ALDH1A1 P00352 2/20 0.30
CREBBP Q92793 1/20 0.30

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
SCHEMBL9308239 0.88 MEN1 (0.49) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL9705239 0.88 MEN1 (0.49) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL21837566 0.87 MEN1 (0.51) MEN1KMT2AKDM4C
SCHEMBL21837564 0.87 MEN1 (0.51) MEN1KMT2AKDM4C
SCHEMBL9306096 0.85 MEN1 (0.47) MEN1KMT2AKDM4CNPC1RAB9A
SCHEMBL2966296 0.83 MEN1 (0.48) MEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL2966301 0.83 MEN1 (0.46) MEN1KMT2AADORA3
SCHEMBL7622057 0.81 MEN1 (0.46) MEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL28454991 0.81 MEN1 (0.44) MEN1KMT2AKDM4CL3MBTL1ADORA3
SCHEMBL11024894 0.81 MEN1 (0.54) MEN1KMT2AKDM4CL3MBTL1NPC1

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
EP-0502595-A2 Amide chelates, their metal complexes and their use in diagnosis and therapy INSTITUT FÜR DIAGNOSTIKFORSCHUNG GmbH AN DER FREIEN UNIVERSITÄT BERLIN (DE) 1992-09-09 EP disclosed