SCHEMBL24864280

SCHEMBL24864280

CC(=O)NCC(NC(C)O)C(=O)NCC(NC(C)=O)C(C)=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
ALOX15 P16050 1/20 0.33
NFKB1 P19838 1/20 0.33
PTGS2 P35354 1/20 0.33
THPO P40225 1/20 0.33
RECQL P46063 1/20 0.33
BLM P54132 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA3 P07451 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA5A P35218 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
SCHEMBL24864552 0.86 KDM4E (0.39) ALDH1A1KDM4EMAPTTHRBALOX15
SCHEMBL24864285 0.82 KDM4E (0.45) ALDH1A1KDM4EMAPTTHRBALOX15
SCHEMBL22623445 0.69 ALDH1A1 (0.40) ALDH1A1KDM4EMAPTTHRBALOX15
SCHEMBL10246348 0.69 ALDH1A1 (0.40) ALDH1A1KDM4EMAPTTHRBALOX15
SCHEMBL23451094 0.69 MAPT (0.59) ALDH1A1KDM4EMAPTTHRBALOX15
SCHEMBL17267121 0.69 MTNR1A (0.38) ALDH1A1KDM4EKISS1RMTNR1AMTNR1B
SCHEMBL13611402 0.69 MAPT (0.59) ALDH1A1KDM4EMAPTTHRBALOX15
SCHEMBL15984442 0.68 CYP2C9 (0.41) ALDH1A1KDM4EMAPTTHRBALOX15
SCHEMBL14577009 0.67 ALDH1A1 (0.46) ALDH1A1KDM4EMAPTTHRBALOX15
SCHEMBL14577008 0.67 ALDH1A1 (0.46) ALDH1A1KDM4EMAPTTHRBALOX15

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-2023280227-A2 LINKERS, DRUG LINKERS AND CONJUGATES THEREOF AND METHODS OF USING THE SAME PROFOUNDBIO US CO. (US) 2023-01-12 WO disclosed