SCHEMBL22433337

SCHEMBL22433337

COC(=O)C(CCOCCCNC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.60
KLK7 P49862 2/20 0.56
KLK5 Q9Y337 2/20 0.56
ITGB3 P05106 1/20 0.52
ITGA2B P08514 1/20 0.52
LMNA P02545 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
SIRT2 Q8IXJ6 1/20 0.51
SIRT1 Q96EB6 1/20 0.51
SIRT3 Q9NTG7 1/20 0.51
CTSS P25774 1/20 0.49
SYK P43405 1/20 0.49
PPARA Q07869 1/20 0.49
TSHR P16473 1/20 0.48
CTSK P43235 1/20 0.48
HTT P42858 1/20 0.47
FOLH1 Q04609 1/20 0.47

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
SCHEMBL22433339 1.00 MAPT (0.60) MAPTKLK7KLK5ITGB3ITGA2B
SCHEMBL14014416 0.91 KLK7 (0.63) MAPTKLK7KLK5ITGB3ITGA2B
SCHEMBL13120843 0.91 KLK7 (0.63) MAPTKLK7KLK5ITGB3ITGA2B
SCHEMBL2329143 0.90 KLK7 (0.67) MAPTKLK7KLK5ITGB3ITGA2B
SCHEMBL25540903 0.90 KLK7 (0.67) MAPTKLK7KLK5ITGB3ITGA2B
SCHEMBL2329138 0.90 KLK7 (0.67) MAPTKLK7KLK5ITGB3ITGA2B
SCHEMBL22090527 0.88 SIRT2 (0.51) MAPTKLK7KLK5ITGB3ITGA2B
SCHEMBL7425992 0.87 SYK (0.58) MAPTKLK7KLK5ITGB3ITGA2B
SCHEMBL7424195 0.87 SYK (0.58) MAPTKLK7KLK5ITGB3ITGA2B
SCHEMBL10825402 0.87 LMNA (0.62) MAPTKLK7KLK5ITGB3ITGA2B

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-2020185999-A1 CYCLIC PEPTIDE ANTIBIOTICS GENENTECH, INC. (US) 2020-09-17 WO disclosed