SCHEMBL30027910

SCHEMBL30027910

O=C(CC[C@H](NC(=O)OCc1cccc2c1Cc1ccccc1-2)C(=O)O)NC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 2/20 0.38
▸ TGM2 P21980 3/20 0.38
▸ TLR2 O60603 2/20 0.36
▸ PNMT P11086 1/20 0.36
▸ PPARG P37231 1/20 0.35
▸ PPARA Q07869 1/20 0.35
▸ FOLH1 Q04609 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
SCHEMBL30148112 1.00 ACE (0.38) ACETGM2TLR2PNMTPPARG
SCHEMBL28512979 1.00 ACE (0.38) ACETGM2TLR2PNMTPPARG
SCHEMBL30028093 0.92 PNMT (0.36) ACETGM2PNMTPPARGPPARA
SCHEMBL2551608 0.86 FOLH1 (0.45) ACETGM2PNMTFOLH1
SCHEMBL2551604 0.86 FOLH1 (0.45) ACETGM2PNMTFOLH1
SCHEMBL28030109 0.86 TLR2 (0.45) ACETGM2TLR2PNMTFOLH1
SCHEMBL30028070 0.85 NPC1 (0.31) —
SCHEMBL16695025 0.84 MME (0.44) ACETGM2PNMT
SCHEMBL22804047 0.84 MME (0.44) ACETGM2PNMT
SCHEMBL2537174 0.84 MME (0.44) ACETGM2PNMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117304131-A Alpha-carbonyl alkenyl ester compound, and preparation method and application thereof 广州医科大学 2023-12-29 — — CN claimed
CN-118772247-A PKal bicyclic peptide and application thereof in medicine 西藏海思科制药有限公司 2024-10-15 — — CN disclosed
WO-2024153243-A1 MODIFIED PEPTIDE AS TREM-1 INHIBITOR 武汉人福创新药物研发中心有限公司 2024-07-25 — — WO disclosed
CN-118359676-A Modified peptides as Trem-1 inhibitors 武汉人福创新药物研发中心有限公司 2024-07-19 — — CN disclosed
CN-117304131-A Alpha-carbonyl alkenyl ester compound, and preparation method and application thereof 广州医科大学 2023-12-29 — — CN disclosed
CN-113292430-B Alpha-carbonyl alkenyl ester compound and preparation method and application thereof 江西师范大学 2022-11-29 — — CN disclosed
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