SCHEMBL20388153

SCHEMBL20388153

CC(=O)COCC(=O)NCCOCCOCCOCCNC(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ KDM4E B2RXH2 5/20 0.39
▸ POLB P06746 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ GLP1R P43220 5/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ CES2 O00748 1/20 0.32
▸ ADRB2 P07550 1/20 0.31
▸ HTR1A P08908 1/20 0.31
▸ FAAH O00519 1/20 0.31
▸ NCF1 P14598 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ RECQL P46063 1/20 0.31
▸ CA12 O43570 2/20 0.30
▸ CA1 P00915 2/20 0.30
▸ CA2 P00918 2/20 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
SCHEMBL21440817 0.97 MEN1 (0.45) MEN1KMT2AKDM4EPOLBTDP1
SCHEMBL21440836 0.97 MEN1 (0.45) MEN1KMT2AKDM4EPOLBTDP1
SCHEMBL22764284 0.88 TSHR (0.40) MEN1KMT2ACES2FAAHTSHR
SCHEMBL23874288 0.87 GLP1R (0.40) MEN1KMT2AKDM4EPOLBTDP1
SCHEMBL22909210 0.87 KDM4E (0.44) MEN1KMT2AKDM4EPOLBTDP1
SCHEMBL27408418 0.87 KDM4E (0.44) MEN1KMT2AKDM4EPOLBTDP1
SCHEMBL16327984 0.87 KDM4E (0.44) MEN1KMT2AKDM4EPOLBTDP1
SCHEMBL21106914 0.87 KDM4E (0.44) MEN1KMT2AKDM4EPOLBTDP1
SCHEMBL21501611 0.86 CES2 (0.38) MEN1KMT2AKDM4EPOLBTDP1
SCHEMBL16882443 0.84 MEN1 (0.41) MEN1KMT2AKDM4ETDP1GLP1R

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-2643023-B1 RADIOIODINATION METHOD GE HEALTHCARE LTD (GB) 2018-07-18 — — EP disclosed
Send feedback