SCHEMBL7914583

SCHEMBL7914583

C=CCCCCC[C@H](C(=O)O)C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.44
USP2 O75604 3/20 0.44
ALDH1A1 P00352 3/20 0.44
CYP3A4 P08684 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HPGD P15428 1/20 0.44
ABCC4 O15439 1/20 0.41
LMNA P02545 2/20 0.40
RECQL P46063 1/20 0.39
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
LPAR2 Q9HBW0 1/20 0.33
LPAR3 Q9UBY5 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C9 P11712 1/20 0.33
ACLY P53396 1/20 0.31
NOS1 P29475 2/20 0.31
NOS3 P29474 1/20 0.31
NOS2 P35228 1/20 0.31

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
SCHEMBL2221417 1.00 MAPT (0.44) MAPTUSP2ALDH1A1CYP3A4SMN1; SMN2
SCHEMBL2221420 1.00 MAPT (0.44) MAPTUSP2ALDH1A1CYP3A4SMN1; SMN2
SCHEMBL16421121 0.94 MAPT (0.47) MAPTUSP2ALDH1A1CYP3A4SMN1; SMN2
SCHEMBL16418495 0.94 MAPT (0.47) MAPTUSP2ALDH1A1CYP3A4SMN1; SMN2
SCHEMBL10965572 0.87 MEN1 (0.37) MAPTUSP2ALDH1A1CYP3A4SMN1; SMN2
SCHEMBL12549290 0.83 MAPT (0.46) MAPTUSP2ALDH1A1CYP3A4SMN1; SMN2
SCHEMBL16421155 0.81 MAPT (0.44) MAPTUSP2ALDH1A1CYP3A4SMN1; SMN2
SCHEMBL28448339 0.81 MAPT (0.44) MAPTUSP2ALDH1A1CYP3A4SMN1; SMN2
SCHEMBL6883354 0.81 MAPT (0.44) MAPTUSP2ALDH1A1CYP3A4SMN1; SMN2
SCHEMBL1952608 0.81 MAPT (0.44) MAPTUSP2ALDH1A1CYP3A4SMN1; SMN2

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
WO-2010088394-A1 COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-08-05 WO disclosed