SCHEMBL30683247

SCHEMBL30683247

CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)O)C(C)C

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 1/20 0.55
▸ MAPK9 P45984 1/20 0.55
▸ MAPK10 P53779 1/20 0.55
▸ KEAP1 Q14145 1/20 0.49
▸ KDM1A O60341 3/20 0.45
▸ MAOB P27338 1/20 0.41
▸ KDM5A P29375 1/20 0.41
▸ KDM1B Q8NB78 1/20 0.41
▸ NPY4R P50391 2/20 0.41
▸ BECN1 Q14457 2/20 0.40
▸ REN P00797 4/20 0.40
▸ CALCRL Q16602 1/20 0.40
▸ VIPR1 P32241 3/20 0.40
▸ VIPR2 P41587 3/20 0.40
▸ PTH1R Q03431 2/20 0.39

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
SCHEMBL29965273 0.89 MAPK8 (0.61) MAPK8MAPK9MAPK10KEAP1KDM1A
SCHEMBL30996904 0.86 REN (0.46) MAPK8MAPK9MAPK10KEAP1KDM1A
SCHEMBL30712786 0.85 MAPK8 (0.61) MAPK8MAPK9MAPK10KEAP1KDM1A
SCHEMBL30171144 0.84 KDM1A (0.48) MAPK8MAPK9MAPK10KEAP1KDM1A
SCHEMBL6520003 0.84 MAPK8 (0.45) MAPK8MAPK9MAPK10KEAP1KDM1A
SCHEMBL31573976 0.84 KDM1A (0.52) MAPK8MAPK9MAPK10KEAP1KDM1A
SCHEMBL31433241 0.83 MAPK8 (0.49) MAPK8MAPK9MAPK10KEAP1KDM1A
SCHEMBL30068847 0.83 KDM1A (0.50) MAPK8MAPK9MAPK10KEAP1KDM1A
SCHEMBL29414603 0.83 KDM1A (0.47) MAPK8MAPK9MAPK10KEAP1KDM1A
SCHEMBL30185737 0.83 MAPK8 (0.46) MAPK8MAPK9MAPK10KEAP1NPY4R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11839650-B2 Universal influenza vaccine targeting virus/host recognition BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2023-12-12 — — US disclosed
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