SCHEMBL30844263

SCHEMBL30844263

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)O

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 3/20 0.45
▸ MAOB P27338 1/20 0.41
▸ KDM5A P29375 1/20 0.41
▸ KDM1B Q8NB78 1/20 0.41
▸ REN P00797 9/20 0.41
▸ MAPK8 P45983 1/20 0.40
▸ MAPK9 P45984 1/20 0.40
▸ MAPK10 P53779 1/20 0.40
▸ GHSR Q92847 1/20 0.40
▸ CALCRL Q16602 1/20 0.39
▸ OPRM1 P35372 1/20 0.37
▸ OPRK1 P41145 1/20 0.37
▸ BECN1 Q14457 1/20 0.37

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
SCHEMBL5402299 0.93 KDM1A (0.44) KDM1AMAOBKDM5AKDM1BREN
SCHEMBL30844292 0.93 KDM1A (0.44) KDM1AMAOBKDM5AKDM1BREN
SCHEMBL5402328 0.93 KDM1A (0.44) KDM1AMAOBKDM5AKDM1BREN
SCHEMBL30844409 0.92 KDM1A (0.47) KDM1AMAOBKDM5AKDM1BREN
SCHEMBL31544483 0.92 KDM1A (0.44) KDM1AMAOBKDM5AKDM1BREN
SCHEMBL30844301 0.92 KDM1A (0.48) KDM1AMAOBKDM5AKDM1BREN
SCHEMBL30844273 0.92 KDM1A (0.48) KDM1AMAOBKDM5AKDM1BREN
SCHEMBL30844370 0.92 KDM1A (0.48) KDM1AMAOBKDM5AKDM1BREN
SCHEMBL31019315 0.91 PRCP (0.41) KDM1AMAPK8MAPK9MAPK10GHSR
SCHEMBL29531712 0.90 PRCP (0.42) KDM1AMAPK8MAPK9MAPK10GHSR

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 2 patents. 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 claimed
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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