SCHEMBL31198202

SCHEMBL31198202

NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ ENPEP Q07075 5/20 0.50
▸ ACE P12821 3/20 0.50
▸ PTPN2 P17706 1/20 0.49
▸ PTPN1 P18031 1/20 0.49
▸ MME P08473 3/20 0.48
▸ CPA1 P15085 1/20 0.47
▸ ACE2 Q9BYF1 1/20 0.47
▸ CHRND Q07001 4/20 0.47
▸ CHRNA1 P02708 1/20 0.47
▸ CHRNG P07510 1/20 0.47
▸ CHRNB1 P11230 1/20 0.47
▸ FOLH1 Q04609 1/20 0.45
▸ NAALAD2 Q9Y3Q0 1/20 0.45

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
SCHEMBL29591506 0.93 NAALAD2 (0.48) MEN1KMT2AENPEPACEPTPN2
SCHEMBL30111298 0.92 OPRD1 (0.48) MEN1KMT2AENPEPACEPTPN2
SCHEMBL29822475 0.91 MME (0.56) ENPEPACEMMECPA1ACE2
SCHEMBL29784971 0.90 ALDH1A1 (0.52) ACEPTPN1MMECPA1ACE2
SCHEMBL30661108 0.89 NAALAD2 (0.60) MEN1KMT2AENPEPACEMME
SCHEMBL25627167 0.88 PTPN1 (0.56) ACEPTPN2PTPN1CHRNDCHRNA1
SCHEMBL29630542 0.88 NAALAD2 (0.55) ENPEPACEPTPN2PTPN1MME
SCHEMBL31366730 0.88 OPRD1 (0.53) ACEMME
SCHEMBL29350849 0.87 MME (0.63) ACEMMECHRNDCHRNA1CHRNG
SCHEMBL13588078 0.87 MME (0.63) ACEMMECHRNDCHRNA1CHRNG

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-118813574-A Application of directional mutation glycosyltransferase in synthesis of galactoside anthocyanin 浙江大学 2024-10-22 — — CN disclosed
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