SCHEMBL4598746

SCHEMBL4598746

CCCC(=O)OP(=O)(OC(=O)CCC)OC(=O)CCC.[AlH3]

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.52
LMNA P02545 2/20 0.40
CES2 O00748 2/20 0.39
CES1 P23141 2/20 0.39
HDAC3 O15379 4/20 0.38
HDAC1 Q13547 4/20 0.38
HDAC2 Q92769 4/20 0.38
HDAC8 Q9BY41 4/20 0.38
FFAR3 O14843 3/20 0.38
TSHR P16473 3/20 0.36
HDAC6 Q9UBN7 1/20 0.33
DGKA P23743 1/20 0.32
CTSD P07339 1/20 0.32
CYP3A4 P08684 1/20 0.32
BCL9 O00512 1/20 0.32
CTNNB1 P35222 1/20 0.32

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
SCHEMBL1117108 0.97 ALDH1A1 (0.55) ALDH1A1LMNACES2CES1HDAC3
SCHEMBL7655068 0.86 ALDH1A1 (0.48) ALDH1A1LMNACES2CES1HDAC3
SCHEMBL1735131 0.84 TSHR (0.50) ALDH1A1LMNACES2CES1HDAC3
SCHEMBL30942659 0.83 CES1 (0.46) ALDH1A1LMNACES2CES1TSHR
SCHEMBL11508278 0.82 ALDH1A1 (0.44) ALDH1A1LMNACES2CES1HDAC3
SCHEMBL28156891 0.82 ALDH1A1 (0.44) ALDH1A1LMNACES2CES1HDAC3
SCHEMBL60769 0.80 ALDH1A1 (0.52) ALDH1A1LMNACES2CES1HDAC3
SCHEMBL30680862 0.80 ALDH1A1 (0.52) ALDH1A1LMNACES2CES1HDAC3
SCHEMBL11506103 0.80 ALDH1A1 (0.52) ALDH1A1LMNACES2CES1HDAC3
SCHEMBL669205 0.79 DGKA (0.57) ALDH1A1LMNACES2CES1TSHR

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-1912225-B1 SOFT MAGNETIC MATERIAL, PROCESS FOR PRODUCTION OF THE MATERIAL, POWDER COMPRESSED MAGNETIC CORE, AND PROCESS FOR PRODUCTION OF THE MAGNETIC CORE SUMITOMO ELECTRIC INDUSTRIES (JP) 2016-06-01 EP disclosed
EP-1912225-A1 SOFT MAGNETIC MATERIAL, PROCESS FOR PRODUCTION OF THE MATERIAL, POWDER COMPRESSED MAGNETIC CORE, AND PROCESS FOR PRODUCTION OF THE MAGNETIC CORE Sumitomo Electric Industries, Ltd. (JP) 2008-04-16 EP disclosed