SCHEMBL29546019

SCHEMBL29546019

N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(=O)O)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 2/20 0.51
▸ CTSC P53634 1/20 0.42
▸ ECE1 P42892 1/20 0.42
▸ GNPAT O15228 1/20 0.42
▸ ENPEP Q07075 3/20 0.40
▸ LTA4H P09960 3/20 0.40
▸ ALPI P09923 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ PTGS1 P23219 1/20 0.40
▸ XIAP P98170 1/20 0.40
▸ SLC7A5 Q01650 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ MAPT P10636 1/20 0.40

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
SCHEMBL29478039 0.96 MME (0.48) MMECTSCLTA4H
SCHEMBL29944922 0.96 MME (0.51) MMEECE1GNPATENPEP
SCHEMBL31259942 0.93 MME (0.47) MMEGNPAT
SCHEMBL30578424 0.93 MME (0.47) MMEGNPAT
SCHEMBL30692727 0.93 MME (0.47) MMEGNPAT
SCHEMBL30475879 0.92 MME (0.46) MME
SCHEMBL31534594 0.92 MME (0.46) MME
SCHEMBL30859432 0.91 MME (0.40) MMEECE1GNPATENPEP
SCHEMBL9666897 0.91 CTSC (0.47) MMECTSCALPIPKMPTGS1
SCHEMBL9672005 0.91 CTSC (0.47) MMECTSCALPIPKMPTGS1

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-109797155-B Portunus trituberculatus mannose binding lectin PtMBL gene and encoding protein and application thereof 中国科学院海洋研究所 2022-04-15 — — CN disclosed
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