SCHEMBL29369655

SCHEMBL29369655

NCCCC[C@H](NC(=O)CNC(=O)[C@@H](N)CS)C(=O)NCC(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.54
▸ GSTK1 Q9Y2Q3 1/20 0.54
▸ GLO1 Q04760 1/20 0.43
▸ TERT O14746 1/20 0.42
▸ FNTA P49354 2/20 0.41
▸ FNTB P49356 2/20 0.41
▸ PGGT1B P53609 1/20 0.41
▸ NMT2 O60551 1/20 0.40
▸ NMT1 P30419 1/20 0.40
▸ SIRT6 Q8N6T7 1/20 0.40
▸ SIRT1 Q96EB6 1/20 0.40
▸ FOLH1 Q04609 1/20 0.39
▸ MMP2 P08253 1/20 0.38
▸ GNAI3 P08754 1/20 0.37
▸ GNAO1 P09471 1/20 0.37
▸ GNAI1 P63096 1/20 0.37
▸ GSR P00390 1/20 0.37
▸ CPB2 Q96IY4 1/20 0.37
▸ SLC6A5 Q9Y345 1/20 0.37
▸ RNPEP Q9H4A4 1/20 0.36

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
SCHEMBL23968643 1.00 PTGS1 (0.54) PTGS1GSTK1GLO1TERTFNTA
SCHEMBL30788352 0.91 PTGS1 (0.50) PTGS1GSTK1GLO1TERTFNTA
SCHEMBL29486323 0.91 TERT (0.50) PTGS1GSTK1GLO1TERTNMT2
SCHEMBL30984644 0.91 TERT (0.50) PTGS1GSTK1GLO1TERTNMT2
SCHEMBL30109027 0.91 TERT (0.50) PTGS1GSTK1GLO1TERTNMT2
SCHEMBL29552923 0.90 FNTA (0.51) PTGS1GSTK1TERTFNTAFNTB
SCHEMBL31754320 0.86 TLR2 (0.43) PTGS1GSTK1TERTFNTAFNTB
SCHEMBL29801851 0.84 PTGS1 (0.43) PTGS1GSTK1GLO1TERTNMT2
SCHEMBL30102096 0.83 PTGS1 (0.42) PTGS1GSTK1GLO1TERTNMT2
SCHEMBL29714931 0.83 PTGS1 (0.42) PTGS1GSTK1GLO1TERTNMT2

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
EP-3554559-B1 METHOD FOR LABELING OF SENSITIVE AND THERMOSENSITIVE TARGETING BIOMOLECULES WITH TECHNETIUM BASED COMPOUNDS BRACCO IMAGING SPA (IT) 2022-02-02 — — EP claimed
EP-3554559-B1 METHOD FOR LABELING OF SENSITIVE AND THERMOSENSITIVE TARGETING BIOMOLECULES WITH TECHNETIUM BASED COMPOUNDS BRACCO IMAGING SPA (IT) 2022-02-02 — — EP disclosed
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