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SCHEMBL30358199

SCHEMBL30358199

CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)[C@@H](C)O)C(C)C)[C@@H](C)O

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 1/20 0.58
▸ MAPK9 P45984 1/20 0.58
▸ MAPK10 P53779 1/20 0.58
▸ EPHA2 P29317 2/20 0.58
▸ CALCRL Q16602 4/20 0.55
▸ APLNR P35414 1/20 0.53
▸ SLC6A2 P23975 1/20 0.51
▸ C5AR1 P21730 1/20 0.51
▸ RAMP3 O60896 6/20 0.50
▸ CALCR P30988 6/20 0.50
▸ IL23R Q5VWK5 1/20 0.49

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
SCHEMBL29558997 0.87 MAPK8 (0.63) MAPK8MAPK9MAPK10EPHA2APLNR
SCHEMBL31281288 0.87 MAPK8 (0.60) MAPK8MAPK9MAPK10EPHA2RAMP3
SCHEMBL31313242 0.87 EPHA2 (0.52) EPHA2CALCRLRAMP3CALCR
SCHEMBL30574234 0.86 MAPK8 (0.59) MAPK8MAPK9MAPK10EPHA2
SCHEMBL30285008 0.86 MAPK8 (0.59) MAPK8MAPK9MAPK10EPHA2APLNR
SCHEMBL30327416 0.85 NPY2R (0.58) EPHA2RAMP3CALCRIL23R
SCHEMBL30262202 0.85 CXCR4 (0.59) MAPK8MAPK9MAPK10EPHA2RAMP3
SCHEMBL32679303 0.85 MAPK8 (0.63) MAPK8MAPK9MAPK10EPHA2APLNR
SCHEMBL30628515 0.84 MAPK8 (0.60) MAPK8MAPK9MAPK10EPHA2APLNR
SCHEMBL31572089 0.84 EPHA2 (0.61) MAPK8MAPK9MAPK10EPHA2CALCRL

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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