SCHEMBL29952299

SCHEMBL29952299

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

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.33
CTSS P25774 1/20 0.30
CTSK P43235 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL29954500 0.76 KMT2A (0.36) NPSR1L3MBTL1
SCHEMBL16452414 0.73 CTSK (0.37) CTSSCTSK
SCHEMBL16452415 0.73 CTSK (0.37) CTSSCTSK
SCHEMBL2562216 0.71 NPSR1 (0.35) NPSR1
SCHEMBL29953816 0.70 ALDH1A1 (0.36) NPSR1
SCHEMBL13932943 0.68 CYP2C9 (0.45) NPSR1
SCHEMBL15996559 0.68 CYP2C9 (0.45) NPSR1
SCHEMBL22267166 0.68 CYP2C9 (0.45) NPSR1
SCHEMBL2561646 0.68 TDP1 (0.38) NPSR1
SCHEMBL29953207 0.68 KDM5A (0.33) NPSR1

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