SCHEMBL2831264

SCHEMBL2831264

CC(C)(C)c1cc(C(C)(C)c2cc(C(C)(C)C)c(OCCOCC3CO3)c(C(C)(C)C)c2)cc(C(C)(C)C)c1OCCOCC1CO1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
TSHR P16473 5/20 0.46
TP53 P04637 3/20 0.46
MAPT P10636 2/20 0.46
HPGD P15428 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HIF1A Q16665 2/20 0.46
CYP1A2 P05177 1/20 0.46
PPARG P37231 1/20 0.46
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
TDP1 Q9NUW8 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 1/20 0.36
KDM4E B2RXH2 1/20 0.34
GLA P06280 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
SCHEMBL2833471 0.89 TSHR (0.41) ALDH1A1TSHRTP53MAPTHPGD
SCHEMBL2833567 0.88 TSHR (0.43) ALDH1A1TSHRTP53MAPTHPGD
SCHEMBL2836746 0.87 ALDH1A1 (0.49) ALDH1A1TSHRTP53MAPTHPGD
SCHEMBL2834208 0.87 TSHR (0.42) ALDH1A1TSHRTP53MAPTHPGD
SCHEMBL2836185 0.87 ALDH1A1 (0.55) ALDH1A1TSHRTP53MAPTHPGD
SCHEMBL2833433 0.86 TSHR (0.39) ALDH1A1TSHRTP53MAPTHPGD
SCHEMBL2835751 0.86 TSHR (0.39) ALDH1A1TSHRTP53MAPTHPGD
SCHEMBL2832934 0.84 MEN1 (0.42) ALDH1A1TSHRTP53MAPTHPGD
SCHEMBL2832800 0.83 MEN1 (0.41) ALDH1A1TSHRTP53MAPTHPGD
SCHEMBL2829945 0.82 ALDH1A1 (0.44) ALDH1A1TSHRTP53MAPTHPGD

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