SCHEMBL25793560

SCHEMBL25793560

CCNCCOCCOCCOCCC(=O)NCCCNC(C)CC

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 13/20 0.40
ALDH1A1 P00352 6/20 0.38
MEN1 O00255 5/20 0.37
KMT2A Q03164 5/20 0.37
HTT P42858 3/20 0.36
TSHR P16473 1/20 0.36
NPSR1 Q6W5P4 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CASP2 P42575 1/20 0.33
MCL1 Q07820 1/20 0.33

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
SCHEMBL24811366 0.88 TSHR (0.38) KDM4EALDH1A1MEN1KMT2ATSHR
SCHEMBL25793571 0.86 TSHR (0.43) MEN1KMT2ATSHRSMN1; SMN2CASP2
SCHEMBL25793735 0.82 HPGD (0.40) ALDH1A1MEN1KMT2ATSHRSMN1; SMN2
SCHEMBL25791257 0.80 TP53 (0.41) ALDH1A1MEN1KMT2ATSHRSMN1; SMN2
SCHEMBL24813893 0.79 TSHR (0.40) MEN1KMT2ATSHRSMN1; SMN2CASP2
SCHEMBL20469919 0.77 CASP2 (0.42) ALDH1A1MEN1KMT2ATSHRNPSR1
SCHEMBL26482295 0.77 MEN1 (0.41) ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL24982536 0.77 MEN1 (0.40) KDM4EMEN1KMT2ATSHRCASP2
SCHEMBL24615974 0.77 HPGD (0.40) ALDH1A1MEN1KMT2AHTTTSHR
SCHEMBL25791250 0.75 TSHR (0.39) KDM4EALDH1A1MEN1KMT2ATSHR

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-2023122298-A1 PROTEIN STABILIZING COMPOUNDS CONTAINING USP28 AND/OR USP25 TARGETING LIGANDS Stablix, Inc. (US) 2023-06-29 WO disclosed