SCHEMBL2836029

SCHEMBL2836029

Cc1cc(Cc2cc(C)c(OCCOCC3CO3)c(C)c2)cc(C)c1OCCOCC1CO1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 6/20 0.40
TDP1 Q9NUW8 2/20 0.40
GLA P06280 1/20 0.38
TP53 P04637 3/20 0.37
HIF1A Q16665 2/20 0.37
CYP3A4 P08684 1/20 0.37
MAPK1 P28482 1/20 0.36
HTR2A P28223 2/20 0.35
HTR7 P34969 2/20 0.35
HTR1A P08908 1/20 0.35
ADRA1A P35348 1/20 0.35
HTR6 P50406 1/20 0.35
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
MAPT P10636 2/20 0.33
HPGD P15428 2/20 0.33
CYP1A2 P05177 1/20 0.33
PPARG P37231 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
SCHEMBL2830348 0.91 TSHR (0.43) TSHRSMN1; SMN2ALDH1A1TDP1GLA
SCHEMBL2829255 0.87 TSHR (0.46) TSHRSMN1; SMN2ALDH1A1TDP1GLA
SCHEMBL1357523 0.85 ALDH1A1 (0.47) TSHRSMN1; SMN2ALDH1A1TDP1GLA
SCHEMBL2833191 0.84 SMN1; SMN2 (0.42) TSHRSMN1; SMN2ALDH1A1TDP1GLA
SCHEMBL2836746 0.83 ALDH1A1 (0.49) TSHRSMN1; SMN2ALDH1A1TDP1GLA
SCHEMBL2831072 0.82 TSHR (0.39) TSHRSMN1; SMN2ALDH1A1TDP1GLA
SCHEMBL2833433 0.82 TSHR (0.39) TSHRSMN1; SMN2ALDH1A1TDP1GLA
SCHEMBL2831878 0.82 MEN1 (0.37) TSHRSMN1; SMN2ALDH1A1TDP1GLA
SCHEMBL2832920 0.81 MEN1 (0.36) TSHRSMN1; SMN2ALDH1A1GLATP53
SCHEMBL6295952 0.81 ALDH1A1 (0.47) TSHRSMN1; SMN2ALDH1A1TDP1GLA

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