SCHEMBL30895196

SCHEMBL30895196

N[C@@H](CS)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CS)C(=O)NCC(=O)O

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.63
GSTK1 Q9Y2Q3 1/20 0.63
GLO1 Q04760 2/20 0.47
FNTA P49354 2/20 0.41
FNTB P49356 2/20 0.41
PGGT1B P53609 1/20 0.41
FOLH1 Q04609 1/20 0.40
BMP1 P13497 1/20 0.40
ENPEP Q07075 6/20 0.40
ANPEP P15144 3/20 0.40
EGFR P00533 1/20 0.37

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
SCHEMBL31237100 0.91 PTGS1 (0.58) PTGS1GSTK1GLO1FNTAFNTB
SCHEMBL30438215 0.90 PTGS1 (0.57) PTGS1GSTK1GLO1FNTAFNTB
SCHEMBL30438147 0.90 PTGS1 (0.57) PTGS1GSTK1GLO1FNTAFNTB
SCHEMBL29892438 0.88 PTGS1 (0.58) PTGS1GSTK1GLO1FNTAFNTB
SCHEMBL30132411 0.85 PTGS1 (0.56) PTGS1GSTK1GLO1FNTAFNTB
SCHEMBL22316501 0.85 PTGS1 (0.58) PTGS1GSTK1GLO1FOLH1BMP1
SCHEMBL22111145 0.85 PTGS1 (0.58) PTGS1GSTK1GLO1FOLH1BMP1
SCHEMBL31571920 0.85 PTGS1 (0.59) PTGS1GSTK1GLO1FOLH1BMP1
SCHEMBL29586584 0.83 PTGS1 (0.53) PTGS1GSTK1GLO1FOLH1BMP1
SCHEMBL4665326 0.83 PTGS1 (0.75) PTGS1GSTK1GLO1FNTAFNTB

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-118080871-A Corm-like gold nanocrystals and application thereof in fipronil detection 江南大学 2024-05-28 CN disclosed