SCHEMBL13675803

SCHEMBL13675803

Cc1ccc(OCC(=O)Cn2cc(C(=O)OC(C)(C)C)c3ccccc32)cc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.56
MAPT P10636 4/20 0.53
GAA P10253 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.46
THRB P10828 2/20 0.46
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
TSHR P16473 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PLA2G4A P47712 2/20 0.46
HTT P42858 2/20 0.45
RXFP1 Q9HBX9 2/20 0.45
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MAPK1 P28482 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
NR4A2 P43354 1/20 0.44

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
SCHEMBL13903815 0.85 MAPT (0.71) LMNAMAPTSMN1; SMN2THRBMEN1
SCHEMBL3930481 0.85 PLA2G4A (0.62) PLA2G4A
SCHEMBL13675815 0.81 LMNA (0.56) LMNAMAPTSMN1; SMN2THRBMEN1
SCHEMBL8693115 0.79 ALDH1A1 (0.69) LMNAMAPTGAAKMT2ATSHR
SCHEMBL13675811 0.78 LMNA (0.51) LMNAMAPTSMN1; SMN2THRBMEN1
SCHEMBL13676282 0.77 PPARG (0.39) LMNAMAPTGAASMN1; SMN2MEN1
SCHEMBL12479405 0.75 LMNA (0.68) LMNAMAPTGAASMN1; SMN2KMT2A
SCHEMBL13676257 0.74 PLA2G4A (0.54) LMNAMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL17995258 0.72 NR4A2 (0.69) LMNAMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL3922098 0.72 PLA2G4A (0.56) PLA2G4A

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
US-7608633-B2 Heteroaryl-substituted acetone derivatives as inhibitors of phospholipase A2 MERCKLE GMBH (DE) 2009-10-27 US disclosed