SCHEMBL28653676

SCHEMBL28653676

CCC(N)CNC(CS)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.46
THRB P10828 1/20 0.46
ALOX15 P16050 1/20 0.46
NFKB1 P19838 1/20 0.46
PTGS2 P35354 1/20 0.46
THPO P40225 1/20 0.46
RECQL P46063 1/20 0.46
BLM P54132 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ACE P12821 1/20 0.42
ENPEP Q07075 4/20 0.40
PTGS1 P23219 1/20 0.39
SLC7A11 Q9UPY5 1/20 0.39

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
SCHEMBL27245301 0.86 GGT1 (0.39) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL27245300 0.86 GGT1 (0.39) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL4866538 0.81 ACE (0.48) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL4866546 0.81 ACE (0.48) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL9924203 0.79 KDM4E (0.47) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL2230393 0.76 MAPT (0.52) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL29649175 0.76 MAPT (0.52) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL2230396 0.76 MAPT (0.52) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL1396852 0.76 KDM4E (0.50) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL1396855 0.76 KDM4E (0.50) KDM4EMAPTTHRBALOX15NFKB1

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
CN-114269367-A Therapeutic peptides 科巴公司 2022-04-01 CN disclosed
CN-113518784-A Therapeutic peptides 科巴公司 2021-10-19 CN disclosed