SCHEMBL5489377

SCHEMBL5489377

CCC(C)C(NC(=O)C1CCC(=O)N1)C(=O)C1NCCS1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
POLB P06746 1/20 0.33
TRHR P34981 3/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL5489371 1.00 ACACB (0.34) ACACBSMN1; SMN2POLBTRHRHDAC3
SCHEMBL5495019 0.89 SMN1; SMN2 (0.35) ACACBSMN1; SMN2POLBTRHRMEN1
SCHEMBL5495013 0.89 SMN1; SMN2 (0.35) ACACBSMN1; SMN2POLBTRHRMEN1
SCHEMBL5494049 0.82 DPP7 (0.44) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL5494046 0.82 DPP7 (0.44) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL11742332 0.80 L3MBTL1 (0.49) SMN1; SMN2POLBHDAC3HDAC1HDAC2
SCHEMBL11737947 0.79 TRHR (0.38) ACACBSMN1; SMN2POLBTRHRHDAC3
SCHEMBL5491123 0.78 L3MBTL1 (0.33) MEN1KMT2A
SCHEMBL5496797 0.76 L3MBTL1 (0.33)
SCHEMBL5496795 0.76 L3MBTL1 (0.33)

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-7166579-B2 Prodrugs of DP IV-inhibitors PROSIDION LIMITED (GB) 2007-01-23 US claimed