SCHEMBL28890381

SCHEMBL28890381

C=CC(=O)N(C(=O)C=C)C(CS)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.33
SLC7A11 Q9UPY5 1/20 0.33
LMNA P02545 1/20 0.31
ENPEP Q07075 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
SCHEMBL9895413 1.00 PTGS1 (0.33) PTGS1SLC7A11LMNAENPEP
SCHEMBL28069051 0.76 PTGS1 (0.31) PTGS1SLC7A11
SCHEMBL3513292 0.75 PTGS1 (0.40) PTGS1SLC7A11LMNAENPEP
SCHEMBL3513290 0.75 PTGS1 (0.40) PTGS1SLC7A11LMNAENPEP
SCHEMBL31144831 0.74 CPA1 (0.34)
SCHEMBL515482 0.73 LMNA (0.36) LMNA
SCHEMBL11053869 0.72 CYP3A4 (0.33)
SCHEMBL20788026 0.72 GSR (0.44) LMNA
SCHEMBL20788027 0.72 GSR (0.44) LMNA
SCHEMBL1054858 0.71 KDM4E (0.40) PTGS1SLC7A11ENPEP

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
CN-115350175-A Self-assembled nano-drug, preparation method and application thereof 中国科学院长春应用化学研究所 2022-11-18 CN disclosed