SCHEMBL10693856

SCHEMBL10693856

CCC(=O)C(C)(C(C)=O)C(C)=O

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.42
ALDH1A1 P00352 1/20 0.42
FFAR3 O14843 1/20 0.35
GAA P10253 1/20 0.33

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
SCHEMBL4140338 0.77 TDP1 (0.42) TDP1ALDH1A1FFAR3GAA
SCHEMBL911270 0.77 FFAR3 (0.42) TDP1ALDH1A1FFAR3
SCHEMBL5456770 0.74 GAA (0.38) TDP1ALDH1A1GAA
SCHEMBL2864735 0.74 TDP1 (0.40) TDP1ALDH1A1FFAR3GAA
SCHEMBL374099 0.73 LMNA (0.42) TDP1ALDH1A1FFAR3GAA
SCHEMBL16336541 0.73 ALDH1A1 (0.44) TDP1ALDH1A1FFAR3
SCHEMBL959564 0.73 ALDH1A1 (0.44) TDP1ALDH1A1FFAR3
SCHEMBL121296 0.71
SCHEMBL509484 0.71 ALDH1A1 (0.41) TDP1ALDH1A1FFAR3
SCHEMBL2545646 0.71 ALDH1A1 (0.41) TDP1ALDH1A1FFAR3

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-4751073-A SUNSCREENS OLIN CORPORATION (US) 1988-06-14 US disclosed