SCHEMBL2836746

SCHEMBL2836746

Cc1cc(C(C)(C)c2cc(C)c(OCCOCC3CO3)c(C)c2)cc(C)c1OCCOCC1CO1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.49
TSHR P16473 5/20 0.49
TP53 P04637 3/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
MAPT P10636 2/20 0.49
HPGD P15428 2/20 0.49
HIF1A Q16665 2/20 0.49
CYP1A2 P05177 1/20 0.49
PPARG P37231 1/20 0.49
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.41
TDP1 Q9NUW8 2/20 0.39
GLA P06280 1/20 0.37
CYP3A4 P08684 1/20 0.36
HTR2A P28223 2/20 0.32
HTR7 P34969 2/20 0.32
HTR1A P08908 1/20 0.32
ADRA1A P35348 1/20 0.32
HTR6 P50406 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
SCHEMBL2831264 0.87 ALDH1A1 (0.46) ALDH1A1TSHRTP53MEN1KMT2A
SCHEMBL20090049 0.86 ALDH1A1 (0.54) ALDH1A1TSHRTP53MEN1KMT2A
SCHEMBL2829945 0.86 ALDH1A1 (0.44) ALDH1A1TSHRTP53MEN1KMT2A
SCHEMBL2829255 0.86 TSHR (0.46) ALDH1A1TSHRTP53MEN1KMT2A
SCHEMBL2830269 0.85 ALDH1A1 (0.60) ALDH1A1TSHRTP53MEN1KMT2A
SCHEMBL2836414 0.85 TSHR (0.43) ALDH1A1TSHRTP53MEN1KMT2A
SCHEMBL2833567 0.84 TSHR (0.43) ALDH1A1TSHRTP53MEN1KMT2A
SCHEMBL2836029 0.83 TSHR (0.43) ALDH1A1TSHRTP53MEN1KMT2A
SCHEMBL2830348 0.83 TSHR (0.43) ALDH1A1TSHRTP53MEN1KMT2A
SCHEMBL2835150 0.83 ALDH1A1 (0.45) ALDH1A1TSHRTP53MEN1KMT2A

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