SCHEMBL27840352

SCHEMBL27840352

COC(=O)C(CC(=O)O)C(C)CC(=O)C[C@H](C(=O)O)C(C)C

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.41
SLC1A3 P43003 1/20 0.33
SLC1A2 P43004 1/20 0.33
SLC1A1 P43005 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
STING1 Q86WV6 1/20 0.32
MME P08473 1/20 0.31
ECE1 P42892 1/20 0.30
CASP1 P29466 1/20 0.30

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
SCHEMBL1177115 0.80 TDP1 (0.44) TDP1SLC1A3SLC1A2SLC1A1SMN1; SMN2
SCHEMBL1176824 0.80 TDP1 (0.44) TDP1SLC1A3SLC1A2SLC1A1SMN1; SMN2
SCHEMBL1176819 0.80 TDP1 (0.44) TDP1SLC1A3SLC1A2SLC1A1SMN1; SMN2
SCHEMBL8472485 0.77 TDP1 (0.52) TDP1SLC1A3SLC1A2SLC1A1SMN1; SMN2
SCHEMBL554957 0.76 TDP1 (0.68) TDP1SLC1A3SLC1A2SLC1A1SMN1; SMN2
SCHEMBL5514949 0.76 TDP1 (0.68) TDP1SLC1A3SLC1A2SLC1A1SMN1; SMN2
SCHEMBL14803500 0.76 TDP1 (0.68) TDP1SLC1A3SLC1A2SLC1A1SMN1; SMN2
SCHEMBL13595128 0.74 TDP1 (0.50) TDP1SMN1; SMN2
SCHEMBL9794637 0.74 TDP1 (0.50) TDP1SMN1; SMN2
SCHEMBL11417337 0.70 TDP1 (0.54) TDP1SLC1A1SMN1; SMN2MME

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
CN-102245574-A Compounds, pharmaceutical compositions and methods for treating metabolic disorders EUROSCREEN SA 2011-11-16 CN disclosed