SCHEMBL29939531

SCHEMBL29939531

CC(C)C[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1)C(C)C)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 4/20 0.53
▸ BACE2 Q9Y5Z0 3/20 0.53
▸ KDM1A O60341 3/20 0.51
▸ MAPK8 P45983 1/20 0.50
▸ MAPK9 P45984 1/20 0.50
▸ MAPK10 P53779 1/20 0.50
▸ NTSR2 O95665 2/20 0.49
▸ REN P00797 7/20 0.48
▸ CALCRL Q16602 1/20 0.47
▸ TFPI P10646 1/20 0.47
▸ NTSR1 P30989 1/20 0.46
▸ MAOB P27338 1/20 0.46
▸ KDM5A P29375 1/20 0.46
▸ KDM1B Q8NB78 1/20 0.46

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
SCHEMBL30428962 0.87 KDM1A (0.53) KDM1ANTSR2NTSR1MAOBKDM5A
SCHEMBL29612189 0.87 KDM1A (0.55) KDM1ANTSR2RENNTSR1MAOB
SCHEMBL30880896 0.86 KDM1A (0.53) KDM1AMAPK8MAPK9MAPK10NTSR2
SCHEMBL29433159 0.85 KDM1A (0.56) KDM1AMAPK8MAPK9MAPK10CALCRL
SCHEMBL30974175 0.85 KDM1A (0.59) BACE1BACE2KDM1ANTSR2REN
SCHEMBL30578361 0.84 CALCRL (0.57) BACE1BACE2KDM1AMAPK8MAPK9
SCHEMBL29779794 0.84 NTSR2 (0.53) MAPK8MAPK9MAPK10NTSR2REN
SCHEMBL30438112 0.83 NTSR2 (0.53) KDM1ANTSR2RENNTSR1
SCHEMBL2979904 0.83 KDM1A (0.53) KDM1ANTSR2RENNTSR1MAOB
SCHEMBL30974383 0.83 TFPI (0.55) BACE1BACE2KDM1ACALCRLTFPI

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
CN-115066254-A Human anti-inflammatory peptides for inhalation treatment of inflammatory lung diseases 阿德维塔生命科学有限责任公司 2022-09-16 — — CN disclosed
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