SCHEMBL18116070

SCHEMBL18116070

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

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.33
▸ REN P00797 1/20 0.32
▸ ACKR3 P25106 1/20 0.31
▸ OPRM1 P35372 1/20 0.31
▸ OPRK1 P41145 1/20 0.31
▸ TMEM97 Q5BJF2 1/20 0.31
▸ SIGMAR1 Q99720 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ PDE4A P27815 2/20 0.31
▸ PDE4B Q07343 2/20 0.31
▸ PDE4C Q08493 2/20 0.31
▸ PDE4D Q08499 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ CCR6 P51684 1/20 0.30
▸ PAX8 Q06710 1/20 0.30
▸ BACE1 P56817 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
SCHEMBL18116050 0.94 LMNA (0.32) LMNARENL3MBTL1PDE4APDE4B
SCHEMBL18116057 0.91 PDE4A (0.33) LMNARENL3MBTL1PDE4APDE4B
SCHEMBL22772346 0.79 ALDH1A1 (0.35) LMNAL3MBTL1PDE4APDE4BPDE4C
SCHEMBL18116077 0.78 KDM4E (0.33) LMNARENL3MBTL1PDE4APDE4B
SCHEMBL22536802 0.73 NCEH1 (0.35) LMNAKDM4E
SCHEMBL18116047 0.73 MAOA (0.36) LMNAPDE4APDE4BPDE4CPDE4D
SCHEMBL22536818 0.71 NCEH1 (0.32) L3MBTL1KDM4E
SCHEMBL29880244 0.71 NCEH1 (0.32) L3MBTL1KDM4E
SCHEMBL22536840 0.70 NCEH1 (0.32) LMNAPDE4APDE4BPDE4CPDE4D
Hydrochloric Acid SCHEMBL22157868 0.67 GAA (0.37) LMNAL3MBTL1KDM4E

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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