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Sugi Predict / Compounds / SCHEMBL29408452

SCHEMBL29408452

SCHEMBL29408452

CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(C)=O)[C@@H](C)O)C(C)C)C(C)C)[C@@H](C)O)C(=O)NCC(=O)O

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 4/20 0.61
▸ CALCR P30988 4/20 0.60
▸ TFPI P10646 4/20 0.60
▸ C5AR1 P21730 1/20 0.58
▸ NPY2R P49146 6/20 0.58
▸ NPY4R P50391 6/20 0.58
▸ NPY5R Q15761 6/20 0.58
▸ NPY1R P25929 4/20 0.58

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
SCHEMBL29408449 1.00 F2 (0.61) F2CALCRTFPIC5AR1NPY2R
SCHEMBL30974242 0.91 CALCR (0.62) F2CALCRNPY2RNPY4RNPY5R
SCHEMBL31005061 0.91 CALCR (0.62) F2CALCRNPY2RNPY4RNPY5R
SCHEMBL30495635 0.88 NPY2R (0.66) F2CALCRNPY2RNPY4RNPY5R
SCHEMBL30495758 0.88 CALCR (0.72) F2CALCRTFPINPY2RNPY4R
SCHEMBL8816036 0.88 CALCR (0.75) F2CALCRTFPINPY2RNPY4R
SCHEMBL29812377 0.88 CALCR (0.60) F2CALCR
SCHEMBL30200345 0.88 CALCR (0.69) F2CALCRNPY2RNPY4RNPY5R
SCHEMBL30432035 0.87 NPY2R (0.59) F2CALCRNPY2RNPY4RNPY5R
SCHEMBL29767747 0.87 CALCR (0.64) F2CALCRC5AR1NPY2RNPY1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12163142-B2 Methods for manufacturing plant messenger packs FLAGSHIP PIONEERING INNOVATIONS VI, LLC (US) 2024-12-10 — — US disclosed
US-20240141370-A1 AGRICULTURAL COMPOSITIONS AND RELATED METHODS FLAGSHIP PIONEERING INNOVATIONS VI LLC (US) 2024-05-02 — — US disclosed
CN-117546769-A Method for manufacturing plant messenger bags 旗舰创业创新六公司 2024-02-13 — — CN disclosed
US-11827897-B2 Agricultural compositions and related methods FLAGSHIP PIONEERING INNOVATIONS VI, LLC (US) 2023-11-28 — — US disclosed
CN-112770623-B Method for manufacturing plant messenger bags 旗舰创业创新六公司 2023-08-25 — — CN disclosed
WO-2023022664-A2 REAL TIME DETECTION AND QUANTITATION OF PLANT INNATE IMMUNITY RESPONSE USING RAMAN SPECTROSCOPY TEMASEK LIFE SCIENCES LABORATORY LIMITED (SG) 2023-02-23 — — WO disclosed
US-20220064661-A1 AGRICULTURAL COMPOSITIONS AND RELATED METHODS FLAGSHIP PIONEERING INNOVATIONS VI, LLC 2022-03-03 — — US disclosed
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