SCHEMBL29954500

SCHEMBL29954500

CC(=O)C(NC(=O)CN(C)CC(=O)O)C(C)C

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.36
MEN1 O00255 6/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ALDH1A1 P00352 7/20 0.35
GAA P10253 1/20 0.35
LMNA P02545 1/20 0.35
KDM4E B2RXH2 1/20 0.32
SDCBP O00560 1/20 0.31
SDC2 P34741 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
BHMT Q93088 1/20 0.30

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
SCHEMBL2562216 0.81 NPSR1 (0.35) NPSR1ALDH1A1SDCBPSDC2
SCHEMBL29953816 0.80 ALDH1A1 (0.36) NPSR1ALDH1A1LMNAKDM4E
SCHEMBL17190627 0.80 KMT2A (0.38) KMT2AMEN1ALDH1A1GAALMNA
SCHEMBL2561646 0.78 TDP1 (0.38) NPSR1ALDH1A1GAALMNAKDM4E
SCHEMBL29952299 0.76 NPSR1 (0.33) NPSR1L3MBTL1
SCHEMBL29953207 0.74 KDM5A (0.33) NPSR1ALDH1A1KDM4E
SCHEMBL19197747 0.74 NPSR1 (0.42) NPSR1ALDH1A1LMNAKDM4ESDCBP
SCHEMBL23506609 0.71 EPHX2 (0.43) KMT2AMEN1NPSR1
SCHEMBL2559103 0.71 NPSR1 (0.37) NPSR1ALDH1A1LMNASDCBPSDC2
SCHEMBL13932943 0.71 CYP2C9 (0.45) KMT2AMEN1NPSR1ALDH1A1SDCBP

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed