SCHEMBL4449659

SCHEMBL4449659

COC(=O)C(NC(=O)C1CCC(c2ccc(NC(=O)Nc3cc(C)ccc3OC)cc2)CC1)C(C)C

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.52
MEN1 O00255 5/20 0.52
KMT2A Q03164 5/20 0.52
TP53 P04637 2/20 0.52
GAA P10253 2/20 0.52
MAPK1 P28482 1/20 0.52
ALDH1A1 P00352 3/20 0.50
LMNA P02545 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
RAB9A P51151 2/20 0.48
HTT P42858 1/20 0.48
CASP3 P42574 2/20 0.47
SENP7 Q9BQF6 2/20 0.47
SENP6 Q9GZR1 1/20 0.47
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA9 Q16790 2/20 0.46
IDO1 P14902 1/20 0.42

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
SCHEMBL3299205 1.00 MAPT (0.52) MAPTMEN1KMT2ATP53GAA
SCHEMBL3299208 1.00 MAPT (0.52) MAPTMEN1KMT2ATP53GAA
SCHEMBL3301699 0.93 MAPT (0.53) MAPTMEN1KMT2ATP53GAA
SCHEMBL3301703 0.93 MAPT (0.53) MAPTMEN1KMT2ATP53GAA
SCHEMBL3303528 0.89 MAPT (0.51) MAPTMEN1KMT2ATP53GAA
SCHEMBL3303525 0.89 MAPT (0.51) MAPTMEN1KMT2ATP53GAA
SCHEMBL3299740 0.87 MAPT (0.51) MAPTMEN1KMT2ATP53GAA
SCHEMBL3299058 0.87 MAPT (0.51) MAPTMEN1KMT2ATP53GAA
SCHEMBL3299054 0.87 MAPT (0.51) MAPTMEN1KMT2ATP53GAA
SCHEMBL3299739 0.87 MAPT (0.51) MAPTMEN1KMT2ATP53GAA

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-2120911-A1 AMIDE AND UREA DERIVATIVES FOR THE TREATMENT OF METABOLIC DISEASES Prosidion Limited (GB) 2009-11-25 EP disclosed
WO-2008099221-A1 AMIDE AND UREA DERIVATIVES FOR THE TREATMENT OF METABOLIC DISEASES PROSIDION LIMITED (GB) 2008-08-21 WO disclosed