SCHEMBL2834199

SCHEMBL2834199

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.37
TSHR P16473 5/20 0.37
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
TP53 P04637 3/20 0.37
KDM4E B2RXH2 3/20 0.37
MAPT P10636 2/20 0.37
HPGD P15428 2/20 0.37
HIF1A Q16665 2/20 0.37
CYP1A2 P05177 2/20 0.37
HTT P42858 1/20 0.37
PPARG P37231 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
TDP1 Q9NUW8 2/20 0.35
CYP3A4 P08684 2/20 0.35
PKM P14618 2/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.33
CYP2C9 P11712 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
SCHEMBL2832493 0.90 HTT (0.38) ALDH1A1TSHRMEN1KMT2ATP53
SCHEMBL20365726 0.87 TDP1 (0.35) ALDH1A1TSHRMEN1KMT2ATP53
SCHEMBL2718922 0.86 ALDH1A1 (0.48) ALDH1A1TSHRMEN1KMT2ATP53
SCHEMBL2824329 0.85 ALDH1A1 (0.42) ALDH1A1TSHRMEN1KMT2ATP53
SCHEMBL20365740 0.83 TDP1 (0.40) ALDH1A1TSHRMEN1KMT2ATP53
SCHEMBL2830304 0.83 KDM4E (0.31) KDM4EHTTSMN1; SMN2
SCHEMBL2831547 0.82 SMN1; SMN2 (0.40) ALDH1A1TSHRMEN1KMT2ATP53
SCHEMBL2829822 0.82 TDP1 (0.50) ALDH1A1TSHRMEN1KMT2ATP53
SCHEMBL2719932 0.82 TDP1 (0.50) ALDH1A1TSHRMEN1KMT2ATP53
SCHEMBL2832853 0.81 TSHR (0.46) ALDH1A1TSHRMEN1KMT2ATP53

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 1 patent. 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