SCHEMBL30116355

SCHEMBL30116355

O=C(N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)O)[C@@H]1CCCN1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 3/20 0.43
▸ REN P00797 3/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ F2 P00734 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ LTA4H P09960 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ PEPD P12955 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ PTGS1 P23219 1/20 0.43
▸ HTR2A P28223 1/20 0.43
▸ PTGS2 P35354 1/20 0.43
▸ HRH1 P35367 1/20 0.43
▸ THPO P40225 1/20 0.43
▸ PMP22 Q01453 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ ACE2 Q9BYF1 1/20 0.43
▸ CAPN1 P07384 3/20 0.42

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
SCHEMBL29380028 0.97 ACE (0.46) ACERENKDM4EF2LMNA
SCHEMBL29576017 0.94 CAPN1 (0.42) ACERENKDM4EF2LMNA
SCHEMBL30159321 0.93 CAPN1 (0.43) ACERENKDM4EF2LMNA
SCHEMBL30817465 0.90 ACE (0.52) ACERENKDM4EF2LMNA
SCHEMBL30452849 0.90 ACE (0.43) ACERENKDM4EF2LMNA
SCHEMBL30395175 0.89 REN (0.39) ACERENKDM4EF2LMNA
SCHEMBL29765170 0.88 CAPN1 (0.47) ACERENKDM4EF2LMNA
SCHEMBL29765258 0.88 CAPN1 (0.47) ACERENKDM4EF2LMNA
SCHEMBL29765105 0.88 CAPN1 (0.47) ACERENKDM4EF2LMNA
SCHEMBL29765176 0.88 CAPN1 (0.47) ACERENKDM4EF2LMNA

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-115697375-A Pharmaceutical composition comprising GLP-2 derivatives or long-acting conjugates thereof for the prevention or treatment of mucositis induced by radiotherapy, chemotherapy or a combination thereof 韩美药品株式会社 2023-02-03 — — CN disclosed
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