SCHEMBL6919138

SCHEMBL6919138

CC(C)(C)c1ccc(CCCC(=O)N[C@@H](CCC(N)=O)C(=O)O)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.46
ALB P02768 4/20 0.46
CA2 P00918 3/20 0.44
CA1 P00915 2/20 0.44
C3AR1 Q16581 1/20 0.43
KMT2A Q03164 1/20 0.43
ACE P12821 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TGM2 P21980 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NOD1 Q9Y239 1/20 0.41
ITGB3 P05106 2/20 0.41
ITGA2B P08514 2/20 0.41
ESRRG P62508 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
SCHEMBL402067 0.85 SMN1; SMN2 (0.55) C3AR1KMT2ASMN1; SMN2ITGB3ITGA2B
SCHEMBL2248048 0.79 EPHX2 (0.47) NR1H4CA2CA1KMT2AACE
SCHEMBL5273134 0.77 KMT2A (0.57) CA2CA1C3AR1KMT2AITGB3
SCHEMBL28229751 0.77 KMT2A (0.57) CA2CA1C3AR1KMT2AITGB3
SCHEMBL4925425 0.76 ALB (0.50) ALBSMN1; SMN2NOD1
SCHEMBL4925430 0.76 ALB (0.50) ALBSMN1; SMN2NOD1
SCHEMBL7602117 0.76 ALB (0.53) ALBL3MBTL1ITGB3ITGA2B
SCHEMBL7045847 0.76 NOD1 (0.56) CA2CA1C3AR1KMT2ANOD1
SCHEMBL7046045 0.76 NOD1 (0.60) CA2CA1C3AR1KMT2ANOD1
SCHEMBL20100673 0.75 ALB (0.47) ALBACENOD1ITGB3ITGA2B

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
WO-2011080103-A1 DOUBLE-ACYLATED GLP-1 DERIVATIVES NOVO NORDISK A/S (DK) 2011-07-07 WO disclosed