SCHEMBL2829941

SCHEMBL2829941

CCc1cc(C(C)(C)c2cc(CC)c(OC(C)OCC3CO3)c(CC)c2)cc(CC)c1OC(C)OCC1CO1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.40
TP53 P04637 2/20 0.40
MAPT P10636 2/20 0.40
HPGD P15428 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP1A2 P05177 1/20 0.40
PPARG P37231 1/20 0.40
HIF1A Q16665 1/20 0.40
MAPK1 P28482 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
SCHEMBL2836744 0.86 TSHR (0.44) TSHRTP53MAPTHPGDMEN1
SCHEMBL2829962 0.86 ALDH1A1 (0.32) TSHRTP53ALDH1A1HIF1A
SCHEMBL2833187 0.84 MGLL (0.32) TSHRTP53ALDH1A1HIF1A
SCHEMBL2836412 0.84 TSHR (0.42) TSHRTP53MAPTHPGDMEN1
SCHEMBL2831151 0.84 ALDH1A1 (0.30) TSHRTP53ALDH1A1HIF1A
SCHEMBL2831259 0.83 TSHR (0.41) TSHRTP53MAPTHPGDMEN1
SCHEMBL2833564 0.82 TP53 (0.39) TSHRTP53MAPTHPGDMEN1
SCHEMBL2832966 0.80 ALDH1A1 (0.54) TSHRTP53MAPTHPGDMEN1
SCHEMBL2834204 0.79 TP53 (0.38) TSHRTP53MAPTHPGDMEN1
SCHEMBL2829790 0.78 TP53 (0.32) TSHRTP53MAPTHPGDMEN1

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