SCHEMBL22856481

SCHEMBL22856481

CCCC(=O)NCCOCCOCCOCCOCCNC(C)C

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
CASP2 P42575 1/20 0.44
KDM4E B2RXH2 4/20 0.41
POLB P06746 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
ADRB2 P07550 1/20 0.39
ALDH1A1 P00352 1/20 0.38
GLP1R P43220 3/20 0.37
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA4 P22748 2/20 0.37
CA9 Q16790 2/20 0.37
CA14 Q9ULX7 2/20 0.37
HPGD P15428 1/20 0.36

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
SCHEMBL23729801 1.00 MEN1 (0.47) MEN1KMT2ACASP2KDM4EPOLB
SCHEMBL22526379 0.90 MEN1 (0.45) MEN1KMT2ACASP2GLP1R
SCHEMBL20469991 0.88 MEN1 (0.42) MEN1KMT2ACASP2KDM4EPOLB
SCHEMBL10048529 0.88 CASP2 (0.55) MEN1KMT2ACASP2CA12CA1
SCHEMBL22014884 0.86 MEN1 (0.50) MEN1KMT2AKDM4EPOLBTDP1
SCHEMBL25466890 0.86 MEN1 (0.50) MEN1KMT2AKDM4EPOLBTDP1
SCHEMBL23806133 0.86 MEN1 (0.50) MEN1KMT2AKDM4EPOLBTDP1
SCHEMBL18908647 0.86 MEN1 (0.50) MEN1KMT2AKDM4EPOLBTDP1
SCHEMBL24379925 0.86 MEN1 (0.50) MEN1KMT2AKDM4EPOLBTDP1
SCHEMBL21965675 0.86 MEN1 (0.44) MEN1KMT2AKDM4EPOLBTDP1

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
WO-2023122298-A1 PROTEIN STABILIZING COMPOUNDS CONTAINING USP28 AND/OR USP25 TARGETING LIGANDS Stablix, Inc. (US) 2023-06-29 WO disclosed
WO-2020264490-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2020-12-30 WO disclosed