SCHEMBL2830484

SCHEMBL2830484

CCCCC(CCCOCOCCCC(CCCC)C1CO1)C1CO1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
THRB P10828 1/20 0.34
SPHK2 Q9NRA0 1/20 0.32
SPHK1 Q9NYA1 1/20 0.32
CYP3A4 P08684 1/20 0.32
TSHR P16473 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
SCHEMBL2829260 0.93 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1TDP1TSHR
SCHEMBL2833759 0.91 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1TDP1THRBSPHK2
SCHEMBL2833233 0.87 SMN1; SMN2 (0.36) SMN1; SMN2ALDH1A1TDP1THRBTSHR
SCHEMBL51913 0.84 THRB (0.41) SMN1; SMN2ALDH1A1TDP1THRB
SCHEMBL2831088 0.84 SMN1; SMN2 (0.40) SMN1; SMN2ALDH1A1TDP1THRBSPHK2
SCHEMBL51212 0.81 THRB (0.39) SMN1; SMN2ALDH1A1TDP1THRB
SCHEMBL16664749 0.81 THRB (0.39) SMN1; SMN2ALDH1A1TDP1THRB
SCHEMBL2836205 0.79 ALDH1A1 (0.34) SMN1; SMN2ALDH1A1TDP1THRB
SCHEMBL11031839 0.79 ALDH1A1 (0.45) ALDH1A1TDP1THRBSPHK2SPHK1
SCHEMBL2833636 0.78 SMN1; SMN2 (0.37) SMN1; SMN2ALDH1A1TDP1THRBSPHK2

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