SCHEMBL20630637

SCHEMBL20630637

CN(C(=O)OCc1ccccc1N)C(CSSC(C)(C)C)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.34
ITGA2B P08514 2/20 0.34
OPRK1 P41145 1/20 0.33
ABCB1 P08183 1/20 0.32
KIF11 P52732 1/20 0.31
MMP13 P45452 1/20 0.31
AAK1 Q2M2I8 1/20 0.31
CTSL P07711 1/20 0.30
CTSB P07858 1/20 0.30
CTSS P25774 1/20 0.30
CTSK P43235 1/20 0.30

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
SCHEMBL20629839 0.86
SCHEMBL21952370 0.82 ITGB3 (0.39) ITGB3ITGA2BOPRK1ABCB1CTSL
SCHEMBL21952302 0.82 ITGB3 (0.39) ITGB3ITGA2BOPRK1ABCB1CTSL
SCHEMBL20630203 0.82 ITGB3 (0.39) ITGB3ITGA2BOPRK1ABCB1CTSL
SCHEMBL20604321 0.82 ITGB3 (0.33) ITGB3ITGA2B
SCHEMBL20604513 0.82 ITGB3 (0.33) ITGB3ITGA2B
SCHEMBL16288773 0.77 FABP5 (0.38)
SCHEMBL16288775 0.77 FABP5 (0.38)
SCHEMBL20604252 0.77 FABP5 (0.38)
SCHEMBL30744237 0.77 FABP5 (0.38)

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
EP-3424941-A1 PRODUCTION METHOD FOR NONCYCLIC PEPTIDE-NUCLEIC ACID COMPLEX HAVING, AT N-TERMINAL, AMINO ACID WITH THIOL GROUP NEAR AMINO GROUP, LIBRARY THEREOF, AND CYCLIC PEPTIDE-NUCLEIC ACID COMPLEX LIBRARY DERIVED FROM SAME Chugai Seiyaku Kabushiki Kaisha (JP) 2019-01-09 EP disclosed