SCHEMBL25627066

SCHEMBL25627066

NCC(=O)NC(CC(=O)O)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(Cc1ccccc1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 2/20 0.57
▸ ACE P12821 5/20 0.54
▸ ENPEP Q07075 3/20 0.53
▸ CHRNA1 P02708 1/20 0.52
▸ CHRNG P07510 1/20 0.52
▸ CHRNB1 P11230 1/20 0.52
▸ CHRND Q07001 1/20 0.52
▸ NAALAD2 Q9Y3Q0 1/20 0.51
▸ OPRM1 P35372 2/20 0.50

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
SCHEMBL13588078 0.94 MME (0.63) MMEACECHRNA1CHRNGCHRNB1
SCHEMBL31607204 0.94 MME (0.55) MMEACENAALAD2
SCHEMBL29603463 0.94 MME (0.63) MMEACECHRNA1CHRNGCHRNB1
SCHEMBL29350849 0.94 MME (0.63) MMEACECHRNA1CHRNGCHRNB1
SCHEMBL29602654 0.94 MME (0.63) MMEACECHRNA1CHRNGCHRNB1
SCHEMBL29574387 0.93 MME (0.56) MMEACENAALAD2
SCHEMBL27450013 0.93 MME (0.56) MMEACENAALAD2
SCHEMBL27450014 0.93 MME (0.56) MMEACENAALAD2
SCHEMBL25627092 0.92 PTPN1 (0.55) ACECHRNA1CHRNGCHRNB1CHRND
SCHEMBL30533112 0.91 NAALAD2 (0.61) MMEACECHRNA1CHRNGCHRNB1

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
WO-2023106897-A1 NOVEL PEPTIDE DERIVATIVE DERIVED FROM ADIPONECTIN AND USE THEREOF 서울대학교병원 2023-06-15 — — WO disclosed
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