SCHEMBL5634971

SCHEMBL5634971

c1cc(Oc2ccc(Oc3ccc(OCC4CO4)cc3)nc2)ccc1OCC1CO1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.53
ALDH1A1 P00352 5/20 0.50
TP53 P04637 3/20 0.50
TSHR P16473 3/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
MAPT P10636 2/20 0.50
HPGD P15428 2/20 0.50
HIF1A Q16665 2/20 0.50
PKM P14618 2/20 0.50
CYP1A2 P05177 1/20 0.50
PPARG P37231 1/20 0.50
LMNA P02545 1/20 0.50
GAA P10253 1/20 0.50
CYP3A4 P08684 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
FGFR1 P11362 1/20 0.39
SRC P12931 1/20 0.39
GLA P06280 1/20 0.38
KDM4E B2RXH2 2/20 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
SCHEMBL5633969 0.96 TDP1 (0.49) TDP1ALDH1A1TP53TSHRMEN1
SCHEMBL2906011 0.88 ALDH1A1 (0.50) TDP1ALDH1A1TP53TSHRMEN1
SCHEMBL2901403 0.85 TDP1 (0.58) TDP1ALDH1A1TP53TSHRMEN1
SCHEMBL19813836 0.85 TDP1 (0.70) TDP1ALDH1A1TP53TSHRMEN1
SCHEMBL1170566 0.85 TDP1 (0.70) TDP1ALDH1A1TP53TSHRMEN1
SCHEMBL2920461 0.81 TDP1 (0.53) TDP1ALDH1A1TP53TSHRMEN1
SCHEMBL2906561 0.81 TDP1 (0.57) TDP1ALDH1A1TP53TSHRMEN1
SCHEMBL17183015 0.80 TDP1 (0.63) TDP1ALDH1A1TP53TSHRMEN1
SCHEMBL2904521 0.79 ALDH1A1 (0.57) TDP1ALDH1A1TP53TSHRMEN1
SCHEMBL2905365 0.79 TDP1 (0.54) TDP1ALDH1A1TP53TSHRMEN1

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-7279574-B2 Epoxy compound and cured epoxy resin product SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-10-09 US disclosed
US-20060159929-A1 Epoxy compound and cured epoxy resin product HITACHI, LTD. (JP) 2006-07-20 US disclosed
EP-1636209-A1 EPOXY COMPOUND AND CURED EPOXY RESIN PRODUCT Sumitomo Chemical Company, Limited (JP) 2006-03-22 EP disclosed
WO-2004113327-A1 EPOXY COMPOUND AND CURED EPOXY RESIN PRODUCT SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-12-29 WO disclosed