SCHEMBL20630451

SCHEMBL20630451

CC(C)(C)SSCCN(CC(=O)O)C(=O)OCc1ccc(N)cc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 8/20 0.36
CA2 P00918 8/20 0.36
CA4 P22748 2/20 0.35
CCR6 P51684 1/20 0.34
PAX8 Q06710 1/20 0.34
PRSS1 P07477 1/20 0.33
TPSAB1 Q15661 1/20 0.33
PPID Q08752 3/20 0.32
PPIB P23284 2/20 0.32
PPIG Q13427 2/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
PHLPP2 Q6ZVD8 1/20 0.31
PPIA P62937 1/20 0.30
BLM P54132 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL20630565 0.91 CCR6 (0.37) CA1CA2CA4CCR6PAX8
SCHEMBL20630446 0.89 PPARG (0.35) CA1CA2CA4CCR6PAX8
SCHEMBL20629878 0.85 CA1 (0.31) CA1CA2CA4
SCHEMBL20604262 0.83 SCN1A (0.32) CA1CA2CCR6PAX8
SCHEMBL20630564 0.81 CCR6 (0.38) CCR6PAX8ALDH1A1
SCHEMBL20629876 0.80
SCHEMBL20467739 0.79 CYP3A4 (0.44) CA1CA2CA4CCR6PAX8
SCHEMBL20629877 0.76 ALDH1A1 (0.31) ALDH1A1
SCHEMBL20630203 0.74 ITGB3 (0.39) PRSS1TPSAB1PPIDPPIBPPIG
SCHEMBL21895841 0.73 ABCB1 (0.36) PRSS1TPSAB1PPIDPPIBPPIG

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