SCHEMBL31258275

SCHEMBL31258275

CC(C)CN(CCC(=O)NCCC(=O)NCCC(=O)OCc1ccccc1)CC(C)C

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
PKM P14618 1/20 0.46
TP53 P04637 1/20 0.42
HRH4 Q9H3N8 1/20 0.42
CAPN1 P07384 1/20 0.42
CAPN2 P17655 1/20 0.42
HPGD P15428 3/20 0.42
GAA P10253 1/20 0.42
POLB P06746 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
ALDH1A1 P00352 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MAPK1 P28482 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
EPHX2 P34913 1/20 0.40
NAMPT P43490 1/20 0.40

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
SCHEMBL21660248 0.81 ALDH1A1 (0.58) LMNAPKMHRH4CAPN1CAPN2
Hydrochloric Acid SCHEMBL31258271 0.77 ALDH1A1 (0.49) LMNAHRH4POLBMEN1KMT2A
SCHEMBL19733921 0.77 ALDH1A1 (0.51) LMNAHRH4HPGDGAAPOLB
SCHEMBL7301249 0.77 ALDH1A1 (0.51) LMNAHRH4POLBMEN1KMT2A
Hydrochloric Acid SCHEMBL17335911 0.76 ALDH1A1 (0.50) LMNAHRH4POLBMEN1KMT2A
SCHEMBL21342932 0.76 KMT2A (0.57) LMNAHRH4CAPN1CAPN2HPGD
SCHEMBL22667863 0.76 LMNA (0.55) LMNAL3MBTL1
SCHEMBL24415727 0.75 HPGD (0.53) LMNAPKMCAPN1CAPN2HPGD
SCHEMBL27688463 0.75 EPHX2 (0.59) HPGDPOLBSIRT2MEN1KMT2A
SCHEMBL16620889 0.75 HTT (0.48) LMNAHRH4POLBMEN1KMT2A

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