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Sugi Predict / Compounds / SCHEMBL30358205

SCHEMBL30358205

SCHEMBL30358205

CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CS)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)O)C(C)C)[C@@H](C)CC

nearest known ligand 0.75

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NPY2R P49146 7/20 0.63
▸ NPY4R P50391 7/20 0.63
▸ NPY5R Q15761 7/20 0.63
▸ NPY1R P25929 5/20 0.63
▸ TFPI P10646 4/20 0.63
▸ CXCR4 P61073 3/20 0.62
▸ CALCR P30988 4/20 0.62

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
SCHEMBL30432502 0.92 NPY2R (0.67) NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL29711789 0.91 NPY2R (0.65) NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30218807 0.91 NPY2R (0.65) NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL31012332 0.91 TFPI (0.63) NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30433571 0.91 NPY2R (0.69) NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL31182841 0.90 TFPI (0.66) NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL29390108 0.90 EPHA2 (0.62) NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30618027 0.90 NPY2R (0.67) NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30658265 0.90 NPY2R (0.70) NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30887559 0.90 MAPK8 (0.62) NPY2RNPY4RNPY5RNPY1RCALCR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11732279-B2 Method AMD strains for reducing byproduct fumaric acid in fermentation process of L-malic acid and use thereof Nanjing Haohe Biotechnology Co., Ltd. (CN) 2023-08-22 — — US disclosed
US-20230167471-A1 METHOD AMD STRAINS FOR REDUCING BYPRODUCT FUMARIC ACID IN FERMENTATION PROCESS OF L-MALIC ACID AND USE THEREOF Nanjing Haohe Biotechnology Co., Ltd. (CN) 2023-06-01 — — US disclosed
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