SCHEMBL3828236

SCHEMBL3828236

C=Cc1ccc(OCC2CO2)cc1.C=Cc1ccc(OCC2CO2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.59
ALDH1A1 P00352 7/20 0.56
HPGD P15428 5/20 0.56
TP53 P04637 3/20 0.56
TSHR P16473 3/20 0.56
MAPT P10636 3/20 0.56
HIF1A Q16665 2/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
PKM P14618 2/20 0.56
LMNA P02545 2/20 0.56
CYP1A2 P05177 1/20 0.56
PPARG P37231 1/20 0.56
GAA P10253 1/20 0.56
CYP3A4 P08684 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
CHRNB2 P17787 1/20 0.42
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 1/20 0.42
CHRNA7 P36544 1/20 0.42

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
SCHEMBL573151 1.00 TDP1 (0.59) TDP1ALDH1A1HPGDTP53TSHR
SCHEMBL6813909 0.85 TDP1 (0.63) TDP1ALDH1A1HPGDTP53TSHR
SCHEMBL6813905 0.85 TDP1 (0.63) TDP1ALDH1A1HPGDTP53TSHR
SCHEMBL14063109 0.85 TDP1 (0.63) TDP1ALDH1A1HPGDTP53TSHR
SCHEMBL21094081 0.84 TDP1 (0.79) TDP1ALDH1A1HPGDTP53TSHR
SCHEMBL20677146 0.84 TDP1 (0.79) TDP1ALDH1A1HPGDTP53TSHR
SCHEMBL50264 0.84 TDP1 (0.79) TDP1ALDH1A1HPGDTP53TSHR
SCHEMBL31030956 0.82 TDP1 (0.51) TDP1ALDH1A1HPGDTP53TSHR
SCHEMBL8105528 0.82 ALDH1A1 (0.60) TDP1ALDH1A1HPGDTP53TSHR
SCHEMBL3466095 0.82 ALDH1A1 (0.60) TDP1ALDH1A1HPGDTP53TSHR

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
EP-2102253-A1 A METHOD FOR PREPARING GLYCIDYLOXYSTYRENE MONOMERS AND POLYMERS THEREOF E. I. Du Pont de Nemours and Company (US) 2009-09-23 EP disclosed
WO-2008085513-A1 A METHOD FOR PREPARING GLYCIDYLOXYSTYRENE MONOMERS AND POLYMERS THEREOF E. I. DU PONT DE NEMOURS AND COMPANY (US) 2008-07-17 WO disclosed