SCHEMBL18116050

SCHEMBL18116050

CC(=O)c1cc2c(N(CCNCCOC(N)=O)C(=O)O)c3ccccc3c(N(CCNCCOC(N)=O)C(=O)O)c2o1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.32
▸ PDE4A P27815 3/20 0.32
▸ PDE4B Q07343 3/20 0.32
▸ PDE4C Q08493 3/20 0.32
▸ PDE4D Q08499 3/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ REN P00797 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL18116070 0.94 LMNA (0.33) LMNAPDE4APDE4BPDE4CPDE4D
SCHEMBL18116057 0.85 PDE4A (0.33) LMNAPDE4APDE4BPDE4CPDE4D
SCHEMBL18116077 0.83 KDM4E (0.33) LMNAPDE4APDE4BPDE4CPDE4D
SCHEMBL22772346 0.80 ALDH1A1 (0.35) LMNAPDE4APDE4BPDE4CPDE4D
SCHEMBL18116047 0.74 MAOA (0.36) LMNAPDE4APDE4BPDE4CPDE4D
SCHEMBL22536840 0.72 NCEH1 (0.32) LMNAPDE4APDE4BPDE4CPDE4D
SCHEMBL22536802 0.70 NCEH1 (0.35) LMNAKDM4E
SCHEMBL22536818 0.69 NCEH1 (0.32) KDM4EL3MBTL1
SCHEMBL29880244 0.69 NCEH1 (0.32) KDM4EL3MBTL1
Hydrochloric Acid SCHEMBL22157868 0.65 GAA (0.37) LMNAKDM4EL3MBTL1

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
EP-3274346-A1 WATER-SOLUBLE PRODRUGS Boston Biomedical, Inc. (US) 2018-01-31 — — EP disclosed
WO-2016157052-A1 WATER-SOLUBLE PRODRUGS BOSTON BIOMEDICAL, INC. (US) 2016-10-06 — — WO disclosed
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