SCHEMBL31258264

SCHEMBL31258264

CC(C)CN(CCC(=O)NCCC(=O)NCCC(=O)O)CC(C)C

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 4/20 0.42
TP53 P04637 3/20 0.40
ALDH1A1 P00352 1/20 0.38
KDM4C Q9H3R0 2/20 0.37
KDM4A O75164 1/20 0.37
PHF8 Q9UPP1 1/20 0.37
KDM2A Q9Y2K7 1/20 0.37
FAAH O00519 2/20 0.37
CNR1 P21554 2/20 0.37
CNR2 P34972 2/20 0.37
LMNA P02545 1/20 0.37
PKM P14618 1/20 0.37
NAMPT P43490 1/20 0.36
DNM1 Q05193 2/20 0.36
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 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
SCHEMBL9225685 0.84 KDM4C (0.47) KDM4CKDM4APHF8KDM2ALMNA
SCHEMBL24412629 0.83 DNM1 (0.47) TP53ALDH1A1KDM4AFAAHLMNA
SCHEMBL24412740 0.83 DNM1 (0.47) TP53ALDH1A1KDM4AFAAHLMNA
SCHEMBL8203095 0.82 KDM4C (0.46) KDM4CKDM4APHF8KDM2A
SCHEMBL16399076 0.78 ALDH1A1 (0.55) ECE1ALDH1A1KDM4CKDM4APHF8
SCHEMBL24412797 0.78 CASP2 (0.59) FAAHCNR1DNM1
SCHEMBL31258275 0.75 LMNA (0.46) TP53ALDH1A1LMNAPKMNAMPT
SCHEMBL31258269 0.74 TP53 (0.46) TP53ALDH1A1LMNAPKMNAMPT
SCHEMBL19543386 0.74 LMNA (0.46) ALDH1A1CNR1LMNAPKMNAMPT
SCHEMBL3999907 0.72 KDM4C (0.54) ECE1ALDH1A1KDM4CKDM4APHF8

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