SCHEMBL5307802

SCHEMBL5307802

CC(C)(C)OC(=O)NCCCC(NC(=O)OCc1ccccc1)C(=O)N(CCc1ccccc1)C(N)=O

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.49
MAPT P10636 1/20 0.49
KLK7 P49862 2/20 0.48
KLK5 Q9Y337 2/20 0.48
CTSK P43235 1/20 0.48
MMP1 P03956 1/20 0.47
MMP3 P08254 1/20 0.47
MMP9 P14780 1/20 0.47
SIRT2 Q8IXJ6 1/20 0.46
ITGB3 P05106 1/20 0.45
ITGA2B P08514 1/20 0.45

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
SCHEMBL5311249 0.97 MAPT (0.52) SYKMAPTKLK7KLK5CTSK
SCHEMBL1021938 0.83 SYK (0.60) SYKMAPTKLK7KLK5CTSK
SCHEMBL4958981 0.83 SYK (0.60) SYKMAPTKLK7KLK5CTSK
SCHEMBL918813 0.83 SYK (0.60) SYKMAPTKLK7KLK5CTSK
SCHEMBL19345924 0.82 JAK3 (0.63) SYKMAPTKLK7KLK5SIRT2
SCHEMBL5332690 0.82 SIRT2 (0.65) SYKMAPTKLK7KLK5SIRT2
SCHEMBL5332693 0.82 SIRT2 (0.65) SYKMAPTKLK7KLK5SIRT2
SCHEMBL21900170 0.82 SIRT2 (0.60) SYKMAPTKLK7KLK5CTSK
SCHEMBL21900169 0.82 SIRT2 (0.60) SYKMAPTKLK7KLK5CTSK
SCHEMBL19295560 0.82 SIRT2 (0.60) SYKMAPTKLK7KLK5CTSK

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007027742-A2 SMALL MOLECULE INTEGRIN α2βl/GPIa-IIa ANTAGONISTS THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2007-03-08 WO claimed
WO-2007027742-A2 SMALL MOLECULE INTEGRIN α2βl/GPIa-IIa ANTAGONISTS THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2007-03-08 WO disclosed