SCHEMBL30099668

SCHEMBL30099668

CC(C)C[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)CN)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 8/20 0.55
▸ REN P00797 4/20 0.55
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ F2 P00734 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ LTA4H P09960 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ PEPD P12955 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ PTGS1 P23219 1/20 0.42
▸ HTR2A P28223 1/20 0.42
▸ PTGS2 P35354 1/20 0.42
▸ HRH1 P35367 1/20 0.42
▸ THPO P40225 1/20 0.42
▸ PMP22 Q01453 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ ACE2 Q9BYF1 1/20 0.42
▸ NMUR2 Q9GZQ4 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
SCHEMBL38658249 0.90 ACE (0.57) ACERENMEN1KMT2AKDM4E
SCHEMBL30629285 0.90 KEAP1 (0.50) ACERENNMUR2
SCHEMBL30051880 0.89 REN (0.53) ACERENMEN1KMT2AKDM4E
SCHEMBL30800547 0.87 ACE (0.60) ACERENKDM4EF2LMNA
SCHEMBL30434874 0.87 ACE (0.54) ACERENMEN1KMT2AKDM4E
SCHEMBL30436428 0.85 ACE (0.59) ACERENMEN1KMT2AKDM4E
SCHEMBL30918793 0.84 NAA50 (0.43) ACERENNMUR2OPRK1STAT3
SCHEMBL30264359 0.84 ACE (0.46) ACERENKMT2AF2NMUR2
SCHEMBL30434949 0.84 ACE (0.55) ACERENMEN1KMT2AKDM4E
SCHEMBL30434139 0.83 ACE (0.54) ACERENKDM4EF2LMNA

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
WO-2023003984-A2 LABEL-FREE DETECTION OF PROTEASE ACTIVITY OREGON HEALTH & SCIENCE UNIVERSITY (US) 2023-01-26 — — WO claimed
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