SCHEMBL5138491

SCHEMBL5138491

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

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.33
TSHR P16473 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
SCHEMBL27818057 0.79 TDP1 (0.33) TDP1ALDH1A1TSHR
SCHEMBL6937150 0.77 TSHR (0.40) TDP1ALDH1A1TSHR
SCHEMBL5918026 0.75 TSHR (0.35) TDP1TSHR
SCHEMBL28368488 0.74 LMNA (0.32) TDP1TSHR
SCHEMBL2612023 0.74 ALDH1A1 (0.33) TDP1ALDH1A1GAATSHR
SCHEMBL7194612 0.73 LMNA (0.42) TDP1ALDH1A1GAATSHR
SCHEMBL19069372 0.72
SCHEMBL15268130 0.72 ALDH1A1 (0.32) TDP1ALDH1A1GAA
SCHEMBL27378635 0.72 ALDH1A1 (0.32) TDP1ALDH1A1GAA
SCHEMBL22793232 0.70 LMNA (0.33) GAA

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-2008084046-A1 PLASTICIZERS FOR POLYVINYL ACETALS AND POLYSULFIDES BASF SE (DE) 2008-07-17 WO disclosed