SCHEMBL18116077

SCHEMBL18116077

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

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.33
▸ REN P00797 1/20 0.32
▸ NR3C1 P04150 1/20 0.31
▸ LMNA P02545 2/20 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
▸ ALDH1A1 P00352 3/20 0.30
▸ STAT3 P40763 2/20 0.30
▸ BACE1 P56817 1/20 0.30
▸ USP2 O75604 1/20 0.30
▸ MAPK1 P28482 2/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ HSD17B10 Q99714 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
SCHEMBL18116056 0.95 BACE1 (0.35) KDM4ERENNR3C1LMNAL3MBTL1
SCHEMBL18116050 0.83 LMNA (0.32) KDM4ERENLMNAL3MBTL1PDE4A
SCHEMBL22772346 0.80 ALDH1A1 (0.35) KDM4ELMNAL3MBTL1PDE4APDE4B
SCHEMBL18116057 0.78 PDE4A (0.33) KDM4ERENLMNAL3MBTL1PDE4A
SCHEMBL18116070 0.78 LMNA (0.33) KDM4ERENLMNAL3MBTL1PDE4A
SCHEMBL22536766 0.71 NCEH1 (0.33) KDM4ELMNAPDE4APDE4BPDE4C
SCHEMBL18116075 0.70 MAOA (0.35) KDM4ELMNAPDE4APDE4BPDE4C
SCHEMBL22536765 0.69 NCEH1 (0.36) KDM4EPDE4APDE4BPDE4CPDE4D
SCHEMBL18116053 0.69 EGFR (0.34) KDM4ELMNAPDE4APDE4BPDE4C
SCHEMBL22536823 0.67 SLC2A1 (0.34) KDM4EKMT2A

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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