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Sugi Predict / Compounds / SCHEMBL29365074

SCHEMBL29365074

SCHEMBL29365074

CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GLP1R P43220 9/20 0.65
▸ ECE1 P42892 1/20 0.65
▸ MUS81 Q96NY9 1/20 0.65
▸ CCKBR P32239 3/20 0.63
▸ IL23R Q5VWK5 2/20 0.63
▸ PTH1R Q03431 3/20 0.63
▸ RXFP1 Q9HBX9 1/20 0.62
▸ SLC2A1 P11166 2/20 0.62
▸ GCGR P47871 1/20 0.62
▸ GIPR P48546 1/20 0.62
▸ KEAP1 Q14145 1/20 0.59

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
SCHEMBL30475515 0.92 CCKBR (0.67) GLP1RECE1MUS81CCKBRIL23R
SCHEMBL30658291 0.90 GLP1R (0.73) GLP1RECE1MUS81CCKBRIL23R
SCHEMBL31182957 0.90 PTH1R (0.73) GLP1RECE1MUS81CCKBRPTH1R
SCHEMBL29594305 0.90 GLP1R (0.68) GLP1RECE1MUS81CCKBRIL23R
SCHEMBL30431337 0.90 GLP1R (0.70) GLP1RECE1MUS81CCKBRPTH1R
SCHEMBL30339295 0.89 CCKBR (0.62) GLP1RECE1MUS81CCKBRIL23R
SCHEMBL30431880 0.89 PTH1R (0.71) GLP1RECE1MUS81CCKBRIL23R
SCHEMBL29669568 0.88 NPBWR1 (0.66) GLP1RCCKBRIL23RPTH1RRXFP1
SCHEMBL31694503 0.88 PTH1R (0.72) GLP1RECE1MUS81CCKBRIL23R
SCHEMBL31182951 0.88 GLP1R (0.73) GLP1RECE1MUS81CCKBRIL23R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113999287-A Polypeptide inhibitor targeting galectin-10 and preparation method and application thereof 深圳湾实验室坪山生物医药研发转化中心 2022-02-01 — — CN claimed
CN-113999287-B Galectin-10-targeted polypeptide inhibitor and preparation method and application thereof 深圳湾实验室坪山生物医药研发转化中心 2023-06-27 — — CN disclosed
CN-113999287-A Polypeptide inhibitor targeting galectin-10 and preparation method and application thereof 深圳湾实验室坪山生物医药研发转化中心 2022-02-01 — — CN disclosed
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