SCHEMBL468748

SCHEMBL468748

CCCCOC(=O)CC[C@H](NC(C)=O)C(=O)OCCCC

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.51
POLB P06746 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
ALDH1A1 P00352 3/20 0.46
MEN1 O00255 1/20 0.46
HPGD P15428 1/20 0.46
PLA2G2A P14555 2/20 0.44
NOD1 Q9Y239 2/20 0.43
DGKA P23743 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
PLA2G2C Q5R387 2/20 0.40
HTR2C P28335 1/20 0.40
NAAA Q02083 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
SCHEMBL468747 1.00 KMT2A (0.51) KMT2APOLBL3MBTL1ALDH1A1MEN1
SCHEMBL468841 0.94 KMT2A (0.51) KMT2APOLBL3MBTL1ALDH1A1MEN1
SCHEMBL468842 0.94 KMT2A (0.51) KMT2APOLBL3MBTL1ALDH1A1MEN1
SCHEMBL468844 0.94 KMT2A (0.51) KMT2APOLBL3MBTL1ALDH1A1MEN1
SCHEMBL468843 0.94 KMT2A (0.51) KMT2APOLBL3MBTL1ALDH1A1MEN1
SCHEMBL468904 0.90 L3MBTL1 (0.53) KMT2APOLBL3MBTL1ALDH1A1MEN1
SCHEMBL468906 0.90 L3MBTL1 (0.53) KMT2APOLBL3MBTL1ALDH1A1MEN1
SCHEMBL468917 0.86 NOD1 (0.45) KMT2APOLBL3MBTL1ALDH1A1MEN1
SCHEMBL468919 0.86 NOD1 (0.45) KMT2APOLBL3MBTL1ALDH1A1MEN1
SCHEMBL12357113 0.84 L3MBTL1 (0.62) KMT2APOLBL3MBTL1ALDH1A1MEN1

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
US-RE42902-E1 N-acetyl aldosamines, N-acetylamino acids and related N-acetyl compounds and their topical use TRISTRATA, INC. (US) 2011-11-08 US claimed
WO-2020157128-A1 SILICON-FLUORIDE ACCEPTOR SUBSTITUTED RADIOPHARMACEUTICALS AND PRECURSORS THEREOF Technische Universität München (DE) 2020-08-06 WO disclosed