SCHEMBL2905896

SCHEMBL2905896

c1cc(Oc2ccc(-c3ccc(OCC4CO4)cc3)cc2)nc(Oc2ccc3cc(OCC4CO4)ccc3c2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
TP53 P04637 3/20 0.54
TSHR P16473 3/20 0.54
HIF1A Q16665 2/20 0.54
CYP3A4 P08684 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
TDP1 Q9NUW8 1/20 0.51
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
FGFR1 P11362 1/20 0.44
SRC P12931 1/20 0.44
MAPT P10636 2/20 0.43
HPGD P15428 2/20 0.43
PKM P14618 2/20 0.43
CYP1A2 P05177 1/20 0.43
PPARG P37231 1/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
FFAR4 Q5NUL3 2/20 0.37
PTPN1 P18031 1/20 0.36

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
SCHEMBL2900316 0.96 ALDH1A1 (0.58) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL5632409 0.93 ALDH1A1 (0.61) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL2906566 0.93 TDP1 (0.58) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL2898835 0.93 TDP1 (0.58) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL2898456 0.89 TDP1 (0.64) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL2903660 0.82 TDP1 (0.50) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL2904530 0.82 ALDH1A1 (0.53) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL2898843 0.82 ALDH1A1 (0.70) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL2906450 0.82 TDP1 (0.44) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL14063149 0.82 ALDH1A1 (0.59) ALDH1A1TP53TSHRHIF1ACYP3A4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1636209-B1 EPOXY COMPOUND AND CURED EPOXY RESIN PRODUCT SUMITOMO CHEMICAL CO (JP) 2010-08-11 EP disclosed
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