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SCHEMBL30311322

SCHEMBL30311322

CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1)C(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)O)C(C)C)C(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 3/20 0.52
▸ MAPK8 P45983 1/20 0.50
▸ MAPK9 P45984 1/20 0.50
▸ MAPK10 P53779 1/20 0.50
▸ MAOB P27338 1/20 0.48
▸ KDM5A P29375 1/20 0.48
▸ KDM1B Q8NB78 1/20 0.48
▸ CALCRL Q16602 3/20 0.46
▸ PRMT5 O14744 2/20 0.45
▸ WDR77 Q9BQA1 2/20 0.45
▸ NMUR2 Q9GZQ4 1/20 0.43
▸ NPY1R P25929 2/20 0.43
▸ NPY2R P49146 2/20 0.43
▸ NPY4R P50391 2/20 0.43
▸ NPY5R Q15761 2/20 0.43
▸ CTSD P07339 1/20 0.43
▸ BACE1 P56817 1/20 0.43
▸ REN P00797 4/20 0.42
▸ EPHA2 P29317 1/20 0.42
▸ TFPI P10646 1/20 0.42

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
SCHEMBL30400982 0.96 MAPK8 (0.48) KDM1AMAPK8MAPK9MAPK10MAOB
SCHEMBL30401031 0.96 KDM1A (0.57) KDM1AMAPK8MAPK9MAPK10MAOB
SCHEMBL30401187 0.96 KDM1A (0.57) KDM1AMAPK8MAPK9MAPK10MAOB
SCHEMBL30401159 0.96 KDM1A (0.57) KDM1AMAPK8MAPK9MAPK10MAOB
SCHEMBL30311228 0.96 KDM1A (0.57) KDM1AMAPK8MAPK9MAPK10MAOB
SCHEMBL30401044 0.95 KDM1A (0.56) KDM1AMAPK8MAPK9MAPK10MAOB
SCHEMBL30401010 0.95 KDM1A (0.56) KDM1AMAPK8MAPK9MAPK10MAOB
SCHEMBL30311454 0.95 KDM1A (0.57) KDM1AMAPK8MAPK9MAPK10MAOB
SCHEMBL30311303 0.95 KDM1A (0.57) KDM1AMAPK8MAPK9MAPK10MAOB
SCHEMBL30402069 0.95 KDM1A (0.57) KDM1AMAPK8MAPK9MAPK10MAOB

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
EP-4177259-A1 POLYPEPTIDE FOR REPAIRING MUCOSAL DAMAGE OR SKIN WOUND AND USE THEREOF Sichuan Gooddoctor Panxi Pharmaceutical Co. Ltd (CN) 2023-05-10 — — EP disclosed
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