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Sugi Predict / Compounds / SCHEMBL5499227

SCHEMBL5499227

SCHEMBL5499227

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

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 1/20 0.58
▸ MAPK9 P45984 1/20 0.58
▸ MAPK10 P53779 1/20 0.58
▸ EPHA2 P29317 2/20 0.56
▸ F2 P00734 2/20 0.54
▸ CALCRL Q16602 1/20 0.52
▸ AGTR1 P30556 1/20 0.52
▸ AGTR2 P50052 1/20 0.52
▸ KEAP1 Q14145 2/20 0.52
▸ BACE1 P56817 1/20 0.51
▸ EP300 Q09472 1/20 0.51
▸ HIF1A Q16665 1/20 0.51
▸ NTSR2 O95665 2/20 0.50
▸ NTSR1 P30989 2/20 0.50
▸ SORT1 Q99523 1/20 0.50
▸ OPRM1 P35372 1/20 0.49
▸ OPRK1 P41145 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
SCHEMBL30658563 0.88 EPHA2 (0.59) MAPK8MAPK9MAPK10EPHA2CALCRL
SCHEMBL30338203 0.88 MAPK8 (0.59) MAPK8MAPK9MAPK10F2OPRM1
SCHEMBL30476539 0.87 EPHA2 (0.64) MAPK8MAPK9MAPK10EPHA2EP300
SCHEMBL30959073 0.86 MAPK8 (0.59) MAPK8MAPK9MAPK10EPHA2F2
SCHEMBL30168731 0.86 MAPK8 (0.64) MAPK8MAPK9MAPK10KEAP1EP300
SCHEMBL30571125 0.85 MAPK8 (0.56) MAPK8MAPK9MAPK10EPHA2CALCRL
SCHEMBL30320546 0.85 MAPK8 (0.59) MAPK8MAPK9MAPK10EPHA2NTSR2
SCHEMBL31511426 0.85 MAPK8 (0.57) MAPK8MAPK9MAPK10EPHA2F2
SCHEMBL30880900 0.85 MAPK8 (0.60) MAPK8MAPK9MAPK10EPHA2EP300
SCHEMBL30974445 0.84 CALCRL (0.55) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1635629-A4 PLANT TRANSCRIPTIONAL REGULATORS OF DISEASE RESISTANCE MENDEL BIOTECHNOLOGY INC (US) 2007-10-03 — — EP disclosed
EP-1635629-A2 PLANT TRANSCRIPTIONAL REGULATORS OF DISEASE RESISTANCE Mendel Biotechnology, Inc. (US) 2006-03-22 — — EP disclosed
WO-2004108900-A2 PLANT TRANSCRIPTIONAL REGULATORS OF DISEASE RESISTANCE MENDEL BIOTECHNOLOGY, INC. (US) 2004-12-16 — — WO disclosed
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