SCHEMBL2836205

SCHEMBL2836205

CCCCC(CCCOC(C)(C)OCCCC(CCCC)C1CO1)C1CO1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
THRB P10828 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL2832389 0.93 SMN1; SMN2 (0.30) SMN1; SMN2
SCHEMBL2830345 0.88 THRB (0.31) THRB
SCHEMBL51913 0.82 THRB (0.41) ALDH1A1SMN1; SMN2THRBTDP1
SCHEMBL2833759 0.81 SMN1; SMN2 (0.44) ALDH1A1SMN1; SMN2THRBTDP1
SCHEMBL2830484 0.79 SMN1; SMN2 (0.43) ALDH1A1SMN1; SMN2THRBTDP1
SCHEMBL51212 0.78 THRB (0.39) ALDH1A1SMN1; SMN2THRBTDP1
SCHEMBL16664749 0.78 THRB (0.39) ALDH1A1SMN1; SMN2THRBTDP1
SCHEMBL2833302 0.77 ALDH1A1 (0.31) ALDH1A1
SCHEMBL11031839 0.76 ALDH1A1 (0.45) ALDH1A1THRBTDP1
SCHEMBL51240 0.74 THRB (0.45) ALDH1A1SMN1; SMN2THRBTDP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100160555-A1 RESIN COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-06-24 US disclosed
EP-2133380-A1 RESIN COMPOSITION Sumitomo Chemical Company, Limited (JP) 2009-12-16 EP disclosed