SCHEMBL13639697

SCHEMBL13639697

CC(C)OC(=O)NC(CC(Cc1ccc(OCCF)cn1)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 13/20 0.36
NPSR1 Q6W5P4 10/20 0.36
ITGB3 P05106 1/20 0.35
ITGA2B P08514 1/20 0.35
TDP1 Q9NUW8 5/20 0.35
POLB P06746 4/20 0.35
KMT2A Q03164 4/20 0.34
MAPK1 P28482 4/20 0.34
ATM Q13315 3/20 0.34
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 3/20 0.33
MEN1 O00255 2/20 0.33
RECQL P46063 3/20 0.33
XBP1 P17861 1/20 0.33
HRH2 P25021 2/20 0.32
HRH1 P35367 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GAA P10253 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
SCHEMBL16387458 0.93 ITGB3 (0.41) MAPTNPSR1ITGB3ITGA2BTDP1
SCHEMBL13570708 0.93 ITGB3 (0.41) MAPTNPSR1ITGB3ITGA2BTDP1
SCHEMBL13639642 0.93 ITGB3 (0.41) MAPTNPSR1ITGB3ITGA2BTDP1
SCHEMBL13570709 0.93 ITGB3 (0.41) MAPTNPSR1ITGB3ITGA2BTDP1
SCHEMBL16387526 0.84 ITGB3 (0.41) MAPTNPSR1ITGB3ITGA2BTDP1
SCHEMBL16387460 0.84 ITGB3 (0.41) MAPTNPSR1ITGB3ITGA2BTDP1
SCHEMBL13570779 0.81 ITGB3 (0.48) ITGB3ITGA2B
SCHEMBL13570781 0.81 ITGB3 (0.48) ITGB3ITGA2B
SCHEMBL13571246 0.79 ITGB3 (0.53) ITGB3ITGA2BHRH2HRH1
SCHEMBL16387466 0.79 ITGB3 (0.53) ITGB3ITGA2BHRH2HRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2520556-A1 Radiolabeled amino acids for diagnostic imaging Bayer Pharma Aktiengesellschaft (DE) 2012-11-07 EP disclosed