SCHEMBL7628303

SCHEMBL7628303

C=CC(=O)N[C@@H](CCCNC(=N)N)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TGM2 P21980 11/20 0.45
▸ C3AR1 Q16581 1/20 0.38
▸ DDAH1 O94760 1/20 0.37
▸ GNPAT O15228 1/20 0.37
▸ FOLH1 Q04609 2/20 0.37
▸ ZDHHC20 Q5W0Z9 1/20 0.35
▸ ZDHHC2 Q9UIJ5 1/20 0.35
▸ NOD1 Q9Y239 1/20 0.34

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
SCHEMBL8184648 1.00 TGM2 (0.45) TGM2C3AR1DDAH1GNPATFOLH1
SCHEMBL8177277 0.88 C3AR1 (0.48) TGM2C3AR1DDAH1GNPATFOLH1
SCHEMBL8177335 0.86 TGM2 (0.55) TGM2FOLH1ZDHHC20ZDHHC2
SCHEMBL28776336 0.86 FOLH1 (0.38) TGM2C3AR1FOLH1NOD1
SCHEMBL935421 0.86 TGM2 (0.38) TGM2C3AR1DDAH1ZDHHC20ZDHHC2
SCHEMBL28776339 0.86 FOLH1 (0.38) TGM2C3AR1FOLH1NOD1
SCHEMBL28883698 0.85 NPY4R (0.42) TGM2FOLH1ZDHHC20ZDHHC2
SCHEMBL28883697 0.85 NPY4R (0.42) TGM2FOLH1ZDHHC20ZDHHC2
SCHEMBL12971304 0.84 C3AR1 (0.43) C3AR1GNPATFOLH1NOD1
SCHEMBL29005731 0.84 C3AR1 (0.43) C3AR1GNPATFOLH1NOD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110684150-B Amino acid nano hydrogel and preparation method and application thereof 南方医科大学 2021-05-11 — — CN claimed
CN-110684150-A Amino acid nano hydrogel and preparation method and application thereof 南方医科大学 2020-01-14 — — CN claimed
CN-110746355-B Phenylpyrazole compound, pharmaceutical composition, and preparation method and application thereof 中国科学院上海有机化学研究所 2023-08-11 — — CN disclosed
CN-112618785-B Porous antibacterial hydrogel dressing and preparation method thereof 广东省微生物研究所(广东省微生物分析检测中心) 2022-07-01 — — CN disclosed
CN-110684150-B Amino acid nano hydrogel and preparation method and application thereof 南方医科大学 2021-05-11 — — CN disclosed
CN-112618785-A Porous antibacterial hydrogel dressing and preparation method thereof 广东省微生物研究所(广东省微生物分析检测中心) 2021-04-09 — — CN disclosed
CN-110684150-A Amino acid nano hydrogel and preparation method and application thereof 南方医科大学 2020-01-14 — — CN disclosed
US-20020001821-A1 Methods for direct synthesis of compounds having complementary structure to a desired molecular entity and use thereof MOSBACH KLAUS (SE) 2002-01-03 — — US disclosed
US-6127154-A Methods for direct synthesis of compounds having complementary structure to a desired molecular entity and use thereof KLAUS MOSBACH, CENTER FOR CHEMISTRY AND CHEMICAL ENGINEERING, PURE AND APPLIED BIOCHEMISTRY (SE) 2000-10-03 — — US disclosed
US-5994110-A Methods for direct synthesis of compounds having complementary structure to a desired molecular entity and use thereof KLAUS MOSBACH, CENTER FOR CHEMISTRY AND CHEMICAL ENGINEERING, PURE AND APPLIED BIOCHEMISTRY (SE) 1999-11-30 — — US disclosed
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