SCHEMBL27313920

SCHEMBL27313920

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C3AR1 Q16581 1/20 0.41
ITGB3 P05106 3/20 0.39
ITGA2B P08514 3/20 0.39
TP53 P04637 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.36
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
SHMT1 P34896 1/20 0.34
MEN1 O00255 1/20 0.34
KLK7 P49862 1/20 0.34
NMT2 O60551 1/20 0.33
NMT1 P30419 1/20 0.33
TGM2 P21980 1/20 0.33
NPY1R P25929 1/20 0.32
NPY2R P49146 1/20 0.32
NPY4R P50391 1/20 0.32
NPY5R Q15761 1/20 0.32
NOD1 Q9Y239 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
SCHEMBL25100586 0.88 C3AR1 (0.42) C3AR1ITGB3ITGA2BTP53SMN1; SMN2
SCHEMBL24141108 0.88 C3AR1 (0.42) C3AR1ITGB3ITGA2BTP53SMN1; SMN2
SCHEMBL18556667 0.85 C3AR1 (0.41) C3AR1ITGB3ITGA2BTP53SMN1; SMN2
SCHEMBL17117124 0.84 NMT2 (0.40) C3AR1ITGB3ITGA2BTP53SMN1; SMN2
SCHEMBL23760644 0.84 C3AR1 (0.40) C3AR1ITGB3ITGA2BTP53SMN1; SMN2
SCHEMBL19698084 0.83 C3AR1 (0.39) C3AR1ITGB3ITGA2BTP53SMN1; SMN2
SCHEMBL17683438 0.83 C3AR1 (0.42) C3AR1ITGB3ITGA2BTP53SMN1; SMN2
SCHEMBL24831973 0.82 ITGB3 (0.43) C3AR1ITGB3ITGA2BTP53SMN1; SMN2
SCHEMBL21481051 0.81 ITGB3 (0.42) C3AR1ITGB3ITGA2BTP53SMN1; SMN2
SCHEMBL24235113 0.78 EPHX2 (0.37) C3AR1ITGB3ITGA2BTP53SMN1; SMN2

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-2024052333-A1 MULTIVALENT FIBROBLAST ACTIVATION PROTEIN LIGANDS FOR TARGETED DELIVERY APPLICATIONS PHILOCHEM AG (CH) 2024-03-14 WO disclosed