SCHEMBL23760644

SCHEMBL23760644

CCC(=O)[C@H](CCCNC(N)=O)NC(=O)CC(C)C

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
C3AR1 Q16581 1/20 0.40
ITGB3 P05106 3/20 0.38
ITGA2B P08514 3/20 0.38
TP53 P04637 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.35
KMT2A Q03164 3/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
NOD1 Q9Y239 1/20 0.34
SHMT1 P34896 1/20 0.34
MEN1 O00255 2/20 0.33
NPY1R P25929 2/20 0.33
NPY2R P49146 2/20 0.33
NPY4R P50391 2/20 0.33
NPY5R Q15761 2/20 0.33
KLK7 P49862 1/20 0.33
REN P00797 1/20 0.33

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
SCHEMBL25100586 0.87 C3AR1 (0.42) C3AR1ITGB3ITGA2BTP53SMN1; SMN2
SCHEMBL24141108 0.87 C3AR1 (0.42) C3AR1ITGB3ITGA2BTP53SMN1; SMN2
SCHEMBL17683438 0.84 C3AR1 (0.42) C3AR1ITGB3ITGA2BTP53SMN1; SMN2
SCHEMBL27313920 0.84 C3AR1 (0.41) C3AR1ITGB3ITGA2BTP53SMN1; SMN2
SCHEMBL18556667 0.84 C3AR1 (0.41) C3AR1ITGB3ITGA2BTP53SMN1; SMN2
SCHEMBL17117124 0.83 NMT2 (0.40) C3AR1ITGB3ITGA2BTP53SMN1; SMN2
SCHEMBL19698084 0.82 C3AR1 (0.39) C3AR1ITGB3ITGA2BTP53SMN1; SMN2
SCHEMBL24831973 0.81 ITGB3 (0.43) C3AR1ITGB3ITGA2BTP53SMN1; SMN2
SCHEMBL21481051 0.80 ITGB3 (0.42) C3AR1ITGB3ITGA2BTP53SMN1; SMN2
SCHEMBL20997125 0.80 NPY4R (0.41) NPY1RNPY2RNPY4RNPY5R

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-2021160825-A1 FIBROBLAST ACTIVATION PROTEIN LIGANDS FOR TARGETED DELIVERY APPLICATIONS PHILOCHEM AG (CH) 2021-08-19 WO disclosed