SCHEMBL30062007

SCHEMBL30062007

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

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.44
▸ GSTK1 Q9Y2Q3 1/20 0.44
▸ TERT O14746 1/20 0.44
▸ MMP2 P08253 1/20 0.40
▸ GSR P00390 1/20 0.40
▸ GNAI3 P08754 1/20 0.40
▸ GNAO1 P09471 1/20 0.40
▸ GNAI1 P63096 1/20 0.40
▸ NOD1 Q9Y239 2/20 0.39
▸ NMT2 O60551 1/20 0.39
▸ NMT1 P30419 1/20 0.39
▸ SLC15A2 Q16348 1/20 0.39
▸ SLC6A5 Q9Y345 1/20 0.39
▸ FNTA P49354 2/20 0.39
▸ FNTB P49356 2/20 0.39
▸ PGGT1B P53609 1/20 0.39
▸ FOLH1 Q04609 1/20 0.39
▸ ACE P12821 1/20 0.37
▸ CPB2 Q96IY4 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
SCHEMBL30957279 0.93 PTGS1 (0.50) PTGS1GSTK1TERTMMP2GSR
SCHEMBL30767178 0.90 PTGS1 (0.43) PTGS1GSTK1TERTMMP2GNAI3
SCHEMBL30519045 0.89 NMT1 (0.47) PTGS1GSTK1TERTNMT2NMT1
SCHEMBL29915442 0.89 TERT (0.50) TERTMMP2GSRGNAI3GNAO1
SCHEMBL31658965 0.88 NOD1 (0.49) PTGS1GSTK1NOD1FNTAFNTB
SCHEMBL27164799 0.88 SLC15A2 (0.45) PTGS1GSTK1NMT2NMT1SLC15A2
SCHEMBL27204489 0.88 SLC15A2 (0.45) PTGS1GSTK1NMT2NMT1SLC15A2
SCHEMBL30665214 0.87 NMT1 (0.49) TERTMMP2GSRGNAI3GNAO1
SCHEMBL30829457 0.87 PTGS1 (0.41) PTGS1GSTK1TERTGNAI3GNAO1
SCHEMBL30834012 0.87 NMT1 (0.48) PTGS1GSTK1TERTNMT2NMT1

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-115463223-A PH-triggered nanogold particle aggregation system and preparation method thereof 武汉轻工大学 2022-12-13 — — CN disclosed
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