SCHEMBL2828673

SCHEMBL2828673

c1cc(C2CCC(c3ccc(OCC4CO4)c(C4CCCCCCC4)c3)CC2)ccc1OCC1CO1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 4/20 0.41
TP53 P04637 3/20 0.41
TSHR P16473 3/20 0.41
HIF1A Q16665 2/20 0.41
CYP3A4 P08684 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
PTGDR2 Q9Y5Y4 8/20 0.41
MAPT P10636 2/20 0.41
HPGD P15428 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
PKM P14618 2/20 0.41
CYP1A2 P05177 1/20 0.41
PPARG P37231 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
KCNH2 Q12809 2/20 0.40
HRH3 Q9Y5N1 2/20 0.40
PTGDR Q13258 3/20 0.38

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
SCHEMBL2719131 1.00 TDP1 (0.42) TDP1ALDH1A1TP53TSHRHIF1A
SCHEMBL2721041 0.88 PTGDR2 (0.42) TDP1ALDH1A1TP53TSHRHIF1A
SCHEMBL2826657 0.88 PTGDR2 (0.42) TDP1ALDH1A1TP53TSHRHIF1A
SCHEMBL2719367 0.87 TDP1 (0.40) TDP1ALDH1A1TP53TSHRHIF1A
SCHEMBL2832428 0.87 TDP1 (0.40) TDP1ALDH1A1TP53TSHRHIF1A
SCHEMBL3133801 0.85 TDP1 (0.56) TDP1ALDH1A1TP53TSHRHIF1A
SCHEMBL1008668 0.85 TDP1 (0.56) TDP1ALDH1A1TP53TSHRHIF1A
SCHEMBL3135906 0.85 TDP1 (0.56) TDP1ALDH1A1TP53TSHRHIF1A
SCHEMBL2832556 0.85 PTGDR2 (0.49) TDP1ALDH1A1TP53TSHRHIF1A
SCHEMBL2719572 0.85 PTGDR2 (0.49) TDP1ALDH1A1TP53TSHRHIF1A

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 4 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
US-20100144926-A1 EPOXY RESIN COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-06-10 US disclosed
EP-2133380-A1 RESIN COMPOSITION Sumitomo Chemical Company, Limited (JP) 2009-12-16 EP disclosed
EP-2133379-A1 EPOXY RESIN COMPOSITION Sumitomo Chemical Company, Limited (JP) 2009-12-16 EP disclosed