SCHEMBL5495019

SCHEMBL5495019

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

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.35
POLB P06746 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ACACB O00763 1/20 0.34
DDOST P39656 1/20 0.33
TRHR P34981 1/20 0.32
CCR5 P51681 1/20 0.31

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
SCHEMBL5495013 1.00 SMN1; SMN2 (0.35) SMN1; SMN2POLBMEN1KMT2AACACB
SCHEMBL5489371 0.89 ACACB (0.34) SMN1; SMN2POLBMEN1KMT2AACACB
SCHEMBL5489377 0.89 ACACB (0.34) SMN1; SMN2POLBMEN1KMT2AACACB
SCHEMBL5489331 0.80 DPP7 (0.41)
SCHEMBL5489340 0.80 DPP7 (0.41)
SCHEMBL25834354 0.79 POLB (0.42) SMN1; SMN2POLBMEN1KMT2AACACB
SCHEMBL14943195 0.79 POLB (0.42) SMN1; SMN2POLBMEN1KMT2AACACB
SCHEMBL2597780 0.78 SMN1; SMN2 (0.42) SMN1; SMN2POLBMEN1KMT2AACACB
SCHEMBL20560032 0.78 SMN1; SMN2 (0.42) SMN1; SMN2POLBMEN1KMT2AACACB
SCHEMBL2597779 0.78 SMN1; SMN2 (0.42) SMN1; SMN2POLBMEN1KMT2AACACB

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