SCHEMBL20630237

SCHEMBL20630237

CCOC(=O)N(CCCC(=O)OC)CCSSC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.35
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ALOX5 P09917 1/20 0.31
KDM5A P29375 2/20 0.31
GAA P10253 1/20 0.31
CYP1A2 P05177 1/20 0.30
MAPK1 P28482 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL23156973 0.90 CYP1A2 (0.36) TSHRKMT2AALOX5GAACYP1A2
SCHEMBL20630240 0.89 TSHR (0.34) TSHRMEN1KMT2A
SCHEMBL20630441 0.84 ALOX5 (0.31) ALOX5CYP1A2
SCHEMBL15083091 0.84 CA14 (0.38) TSHRALOX5GAACYP1A2SMN1; SMN2
SCHEMBL20604435 0.83
SCHEMBL15083249 0.77 CA14 (0.38) TSHRMEN1KMT2A
SCHEMBL20630202 0.75
SCHEMBL20630442 0.74
SCHEMBL15083098 0.72 CA14 (0.35)
SCHEMBL20604509 0.70

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