SCHEMBL5153473

SCHEMBL5153473

CCCCCCCCC(CC)CC(O)C(O)CO

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.57
ALDH1A1 P00352 3/20 0.52
CYP2D6 P10635 2/20 0.48
SPHK1 Q9NYA1 2/20 0.48
CYP3A4 P08684 2/20 0.48
GMNN O75496 1/20 0.48
POLB P06746 1/20 0.48
THPO P40225 1/20 0.48
MTOR P42345 1/20 0.48
BLM P54132 1/20 0.48
KDM4E B2RXH2 1/20 0.48
TP53 P04637 1/20 0.48
CYP1A2 P05177 1/20 0.48
MAPT P10636 1/20 0.48
CETP P11597 1/20 0.48
HTT P42858 1/20 0.48
UBE2N P61088 1/20 0.48
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PSMD14 O00487 1/20 0.39

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
SCHEMBL5154050 1.00 LMNA (0.57) LMNAALDH1A1CYP2D6SPHK1CYP3A4
SCHEMBL2878053 0.92 LMNA (0.61) LMNAALDH1A1CYP2D6SPHK1CYP3A4
SCHEMBL128637 0.92 ALDH1A1 (0.61) LMNAALDH1A1CYP2D6SPHK1CYP3A4
SCHEMBL28338856 0.92 LMNA (0.61) LMNAALDH1A1CYP2D6SPHK1CYP3A4
SCHEMBL314047 0.86 LMNA (0.54) LMNAALDH1A1CYP2D6SPHK1CYP3A4
SCHEMBL30899588 0.83 ALDH1A1 (0.58) LMNAALDH1A1CYP2D6CYP3A4KDM4E
SCHEMBL28112894 0.82 LMNA (0.59) LMNAALDH1A1CYP2D6SPHK1CYP3A4
SCHEMBL28319044 0.82 LMNA (0.59) LMNAALDH1A1CYP2D6SPHK1CYP3A4
SCHEMBL4630852 0.82 ALDH1A1 (0.50) LMNAALDH1A1CYP2D6SPHK1CYP3A4
SCHEMBL30525900 0.80 ALDH1A1 (0.56) LMNAALDH1A1CYP2D6SPHK1CYP3A4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1738803-A1 Inhibitors of staphylococcus hominis in deodorants and antiperspirants Henkel Kommanditgesellschaft auf Aktien (DE) 2007-01-03 EP claimed
EP-1576946-A1 Use of inhibitors of gram-positive cocci in deodorants and antiperspirants Henkel Kommanditgesellschaft auf Aktien (DE) 2005-09-21 EP claimed
EP-1738803-A1 Inhibitors of staphylococcus hominis in deodorants and antiperspirants Henkel Kommanditgesellschaft auf Aktien (DE) 2007-01-03 EP disclosed
EP-1576946-A1 Use of inhibitors of gram-positive cocci in deodorants and antiperspirants Henkel Kommanditgesellschaft auf Aktien (DE) 2005-09-21 EP disclosed