SCHEMBL2833636

SCHEMBL2833636

CCC(CCCOCCOCCCC(CC)C1CO1)C1CO1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
TSHR P16473 1/20 0.33
THRB P10828 1/20 0.33
SPHK2 Q9NRA0 2/20 0.30
SPHK1 Q9NYA1 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
SCHEMBL2833233 0.91 SMN1; SMN2 (0.36) SMN1; SMN2ALDH1A1TDP1TSHRTHRB
SCHEMBL2833759 0.87 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1TDP1TSHRTHRB
SCHEMBL2831088 0.87 SMN1; SMN2 (0.40) SMN1; SMN2ALDH1A1TDP1TSHRTHRB
SCHEMBL3379499 0.85 SMN1; SMN2 (0.33) SMN1; SMN2ALDH1A1TDP1THRB
SCHEMBL18418958 0.83 THRB (0.37) ALDH1A1THRB
SCHEMBL2830345 0.80 THRB (0.31) THRB
SCHEMBL51240 0.79 THRB (0.45) SMN1; SMN2ALDH1A1TDP1TSHRTHRB
SCHEMBL2829260 0.78 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1TDP1TSHR
SCHEMBL2830484 0.78 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1TDP1TSHRTHRB
SCHEMBL31483665 0.78 THRB (0.41) ALDH1A1TDP1THRBSPHK2SPHK1

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