SCHEMBL31258269

SCHEMBL31258269

CC(C)CN(CCC(=O)NCCC(=O)NCC(C(=O)O)N1C(=O)CCC1=O)CC(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.46
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
PKM P14618 1/20 0.35
NAMPT P43490 1/20 0.34
LMNA P02545 2/20 0.34
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
HDAC5 Q9UQL6 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
SCHEMBL31258264 0.74 ECE1 (0.42) TP53MEN1KMT2AALDH1A1PKM
SCHEMBL2172598 0.73 ALDH1A1 (0.46) ALDH1A1PKMHDAC3HDAC4HDAC1
SCHEMBL24412740 0.68 DNM1 (0.47) TP53MEN1KMT2AALDH1A1PKM
SCHEMBL24412629 0.68 DNM1 (0.47) TP53MEN1KMT2AALDH1A1PKM
SCHEMBL15623808 0.65 ALDH1A1 (0.53) ALDH1A1PKMSLC1A2SMN1; SMN2
SCHEMBL31258275 0.64 LMNA (0.46) TP53MEN1KMT2AALDH1A1PKM
SCHEMBL24412797 0.64 CASP2 (0.59)
SCHEMBL31307530 0.64 KMT2A (0.43) MEN1KMT2AALDH1A1KDM4EPKM
SCHEMBL2548421 0.63 ALDH1A1 (0.41) TP53MEN1KMT2AALDH1A1KDM4E
SCHEMBL11554851 0.63 TP53 (0.51) TP53MEN1KMT2AALDH1A1KDM4E

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
EP-4695227-A1 MASS SPECTROMETRIC ANALYSIS Electrophoretics Limited (GB) 2026-02-18 EP disclosed
WO-2024214049-A1 MASS SPECTROMETRIC ANALYSIS ELECTROPHORETICS LIMITED (GB) 2024-10-17 WO disclosed