SCHEMBL30844409

SCHEMBL30844409

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

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 3/20 0.47
▸ MAPK8 P45983 1/20 0.46
▸ MAPK9 P45984 1/20 0.46
▸ MAPK10 P53779 1/20 0.46
▸ MAOB P27338 1/20 0.43
▸ KDM5A P29375 1/20 0.43
▸ KDM1B Q8NB78 1/20 0.43
▸ CALCRL Q16602 1/20 0.41
▸ REN P00797 3/20 0.40
▸ VIPR2 P41587 4/20 0.40
▸ VIPR1 P32241 3/20 0.40
▸ TFPI P10646 1/20 0.39
▸ NPY1R P25929 2/20 0.38
▸ NPY2R P49146 2/20 0.38
▸ NPY4R P50391 2/20 0.38
▸ NPY5R Q15761 2/20 0.38
▸ BECN1 Q14457 1/20 0.38
▸ CTSD P07339 1/20 0.38
▸ BACE1 P56817 1/20 0.38

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
SCHEMBL30844370 0.93 KDM1A (0.48) KDM1AMAPK8MAPK9MAPK10MAOB
SCHEMBL30844273 0.93 KDM1A (0.48) KDM1AMAPK8MAPK9MAPK10MAOB
SCHEMBL30844301 0.93 KDM1A (0.48) KDM1AMAPK8MAPK9MAPK10MAOB
SCHEMBL30844263 0.92 KDM1A (0.45) KDM1AMAPK8MAPK9MAPK10MAOB
SCHEMBL29568737 0.92 KDM1A (0.55) KDM1AMAPK8MAPK9MAPK10MAOB
SCHEMBL30068847 0.91 KDM1A (0.50) KDM1AMAPK8MAPK9MAPK10MAOB
SCHEMBL31544483 0.89 KDM1A (0.44) KDM1AMAPK8MAPK9MAPK10MAOB
SCHEMBL5402328 0.89 KDM1A (0.44) KDM1AMAPK8MAPK9MAPK10MAOB
SCHEMBL30844292 0.89 KDM1A (0.44) KDM1AMAPK8MAPK9MAPK10MAOB
SCHEMBL5402299 0.89 KDM1A (0.44) 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
CN-117858890-A Polypeptide compound and application thereof in treating enteritis 四川好医生攀西药业有限责任公司 2024-04-09 — — CN disclosed
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