SCHEMBL5084394

SCHEMBL5084394

CC(C)CCCCCOC(=O)CCc1cc(-c2cccc3[nH]nnc23)c(O)c(C(C)(C)C)c1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE1A P54750 1/20 0.34
PDE1B Q01064 1/20 0.34
PDE1C Q14123 1/20 0.34
ALOX5 P09917 1/20 0.32
GAA P10253 3/20 0.32
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TNKS2 Q9H2K2 1/20 0.30
KDM4E B2RXH2 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
SCHEMBL29494854 1.00 PDE1A (0.34) PDE1APDE1BPDE1CALOX5GAA
SCHEMBL6278572 0.91 ALDH1A1 (0.38) ALOX5GAAKMT2AMEN1ALDH1A1
SCHEMBL2488006 0.86 APP (0.39) PDE1APDE1BPDE1CKMT2AMEN1
SCHEMBL2777243 0.84 GAA (0.34) ALOX5GAAKMT2AMEN1ALDH1A1
SCHEMBL1870423 0.83 GAA (0.42) GAAKMT2AMEN1ALDH1A1KDM4E
SCHEMBL3746000 0.83 PDE1A (0.36) PDE1APDE1BPDE1CALOX5ALDH1A1
SCHEMBL4887850 0.82 CYP3A4 (0.39) GAAKMT2AMEN1ALDH1A1
SCHEMBL9338842 0.82 GAA (0.33) PDE1APDE1BPDE1CALOX5GAA
SCHEMBL6236497 0.80 APP (0.36) PDE1APDE1BPDE1CKMT2AMEN1
SCHEMBL10482112 0.80 GAA (0.32) GAAKMT2AMEN1

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-1987094-A1 AROMATIC PHOSPHATE ACID ESTER FLAME RETARDANT COMPOSITIONS Ciba Holding Inc. (CH) 2008-11-05 EP disclosed
WO-2007096260-A1 AROMATIC PHOSPHATE ACID ESTER FLAME RETARDANT COMPOSITIONS CIBA HOLDING INC. (CH) 2007-08-30 WO disclosed