SCHEMBL20630441

SCHEMBL20630441

CCOC(=O)N(CCCC(=O)OCC#N)CCSSC(C)(C)C

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.31
CYP1A2 P05177 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
SCHEMBL20630442 0.90
SCHEMBL15083098 0.89 CA14 (0.35)
SCHEMBL20630237 0.84 TSHR (0.35) ALOX5CYP1A2
SCHEMBL20604398 0.84
SCHEMBL23156973 0.82 CYP1A2 (0.36) ALOX5CYP1A2
SCHEMBL15083087 0.81 CA14 (0.32)
SCHEMBL15083091 0.81 CA14 (0.38) ALOX5CYP1A2
SCHEMBL15083092 0.75 CTSS (0.32)
SCHEMBL20629876 0.75
SCHEMBL20630240 0.74 TSHR (0.34)

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