SCHEMBL20630203

SCHEMBL20630203

CN(C(=O)OCc1ccc(N)cc1)C(CSSC(C)(C)C)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.39
ITGA2B P08514 2/20 0.39
ABCB1 P08183 2/20 0.37
PRSS1 P07477 1/20 0.35
TPSAB1 Q15661 1/20 0.35
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
FOLH1 Q04609 1/20 0.32
ITGB1 P05556 2/20 0.32
ITGA5 P08648 2/20 0.32
ITGAV P06756 1/20 0.32
F2 P00734 1/20 0.31
PLAU P00749 1/20 0.31
PLAT P00750 1/20 0.31
PPIB P23284 1/20 0.31
PPID Q08752 1/20 0.31
PPIG Q13427 1/20 0.31
P2RX7 Q99572 1/20 0.31

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
SCHEMBL21952370 1.00 ITGB3 (0.39) ITGB3ITGA2BABCB1PRSS1TPSAB1
SCHEMBL21952302 1.00 ITGB3 (0.39) ITGB3ITGA2BABCB1PRSS1TPSAB1
SCHEMBL21895841 0.86 ABCB1 (0.36) ITGB3ITGA2BABCB1PRSS1TPSAB1
SCHEMBL21952987 0.85 TSHR (0.32) ITGB3ITGA2BABCB1CTSLCTSB
SCHEMBL21950774 0.85 TSHR (0.32) ITGB3ITGA2BABCB1CTSLCTSB
SCHEMBL20630197 0.85 TSHR (0.32) ITGB3ITGA2BABCB1CTSLCTSB
SCHEMBL20604454 0.83 ITGB3 (0.38) ITGB3ITGA2BABCB1CTSLCTSB
SCHEMBL20604456 0.83 ITGB3 (0.38) ITGB3ITGA2BABCB1CTSLCTSB
SCHEMBL20604474 0.83 ITGB3 (0.38) ITGB3ITGA2BABCB1CTSLCTSB
SCHEMBL20630637 0.82 ITGB3 (0.34) ITGB3ITGA2BABCB1CTSLCTSB

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
EP-3636807-A1 CYCLIC PEPTIDE COMPOUND HAVING HIGH MEMBRANE PERMEABILITY, AND LIBRARY CONTAINING SAME Chugai Seiyaku Kabushiki Kaisha (JP) 2020-04-15 EP disclosed
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