SCHEMBL30957279

SCHEMBL30957279

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

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.50
▸ GSTK1 Q9Y2Q3 1/20 0.50
▸ TERT O14746 5/20 0.49
▸ GSR P00390 1/20 0.46
▸ GNAI3 P08754 1/20 0.45
▸ GNAO1 P09471 1/20 0.45
▸ GNAI1 P63096 1/20 0.45
▸ FNTA P49354 2/20 0.43
▸ FNTB P49356 2/20 0.43
▸ PGGT1B P53609 1/20 0.43
▸ MMP2 P08253 1/20 0.42
▸ CPB2 Q96IY4 1/20 0.42
▸ NOD1 Q9Y239 1/20 0.41
▸ SLC6A5 Q9Y345 1/20 0.41
▸ FOLH1 Q04609 1/20 0.40
▸ DPP8 Q6V1X1 1/20 0.39
▸ DPP9 Q86TI2 1/20 0.39
▸ DPP7 Q9UHL4 1/20 0.39
▸ ACE P12821 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
SCHEMBL30062007 0.93 PTGS1 (0.44) PTGS1GSTK1TERTGSRGNAI3
SCHEMBL2887196 0.90 TERT (0.52) TERTGSRGNAI3GNAO1GNAI1
SCHEMBL2887200 0.90 TERT (0.52) TERTGSRGNAI3GNAO1GNAI1
SCHEMBL8766612 0.89 TERT (0.49) PTGS1GSTK1TERTGSRGNAI3
SCHEMBL29552923 0.89 FNTA (0.51) PTGS1GSTK1TERTGSRFNTA
SCHEMBL30767178 0.88 PTGS1 (0.43) PTGS1GSTK1TERTGNAI3GNAO1
SCHEMBL31188441 0.88 TERT (0.53) PTGS1GSTK1TERTGSRGNAI3
SCHEMBL29915442 0.88 TERT (0.50) TERTGSRGNAI3GNAO1GNAI1
SCHEMBL29791725 0.86 TERT (0.49) PTGS1GSTK1TERTGSRGNAI3
SCHEMBL21190713 0.86 NOD1 (0.50) PTGS1GSTK1TERTGSRGNAI3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119731239-A Iodinated crosslinked hydrogels and methods of forming the same 波士顿科学医学有限公司 2025-03-28 — — CN disclosed
CN-119731240-A Iodine labeled hydrogels and precursors thereof with improved properties 波士顿科学医学有限公司 2025-03-28 — — CN disclosed
US-12257327-B2 Compositions and methods for treatment and imaging using nanoparticles WASHINGTON UNIVERSITY (US) 2025-03-25 — — US disclosed
EP-4389216-A2 PEPTIDE COMPOSITIONS AND THERAPEUTIC USES Allegro Pharmaceuticals, LLC (US) 2024-06-26 — — EP disclosed
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