SCHEMBL2832853

SCHEMBL2832853

CC(C)(C)c1cc(-c2ccc(-c3ccc(OCCOCC4CO4)cc3)cc2)ccc1OCCOCC1CO1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.46
ALDH1A1 P00352 4/20 0.46
TP53 P04637 3/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
MAPT P10636 2/20 0.46
HPGD P15428 2/20 0.46
HIF1A Q16665 2/20 0.46
CYP1A2 P05177 1/20 0.46
PPARG P37231 1/20 0.46
TDP1 Q9NUW8 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CYP3A4 P08684 1/20 0.38
LMNA P02545 3/20 0.37
PKM P14618 2/20 0.37
SLC6A9 P48067 1/20 0.37
GAA P10253 1/20 0.37
KDM4E B2RXH2 3/20 0.36
GLA P06280 1/20 0.36
VDR P11473 1/20 0.35

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
SCHEMBL2719651 0.87 ALDH1A1 (0.56) TSHRALDH1A1TP53MEN1KMT2A
SCHEMBL2824329 0.85 ALDH1A1 (0.42) TSHRALDH1A1TP53MEN1KMT2A
SCHEMBL2825566 0.82 TP53 (0.35) TSHRALDH1A1TP53MEN1KMT2A
SCHEMBL2831547 0.82 SMN1; SMN2 (0.40) TSHRALDH1A1TP53MEN1KMT2A
SCHEMBL2829822 0.82 TDP1 (0.50) TSHRALDH1A1TP53MEN1KMT2A
SCHEMBL2719932 0.82 TDP1 (0.50) TSHRALDH1A1TP53MEN1KMT2A
SCHEMBL2834199 0.81 ALDH1A1 (0.37) TSHRALDH1A1TP53MEN1KMT2A
SCHEMBL2832915 0.80 PPARG (0.43) TSHRALDH1A1TP53MEN1KMT2A
SCHEMBL2832493 0.78 HTT (0.38) TSHRALDH1A1TP53MEN1KMT2A
SCHEMBL2830249 0.78 SMN1; SMN2 (0.46) TSHRALDH1A1TP53MEN1KMT2A

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