SCHEMBL2905979

SCHEMBL2905979

c1cc(Oc2ccc(-c3ccc(OCC4CO4)cc3)cc2)cc(Oc2ccc(-c3ccc(OCC4CO4)cc3)cc2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.46
ALDH1A1 P00352 4/20 0.45
TP53 P04637 3/20 0.45
TSHR P16473 3/20 0.45
HIF1A Q16665 2/20 0.45
CYP3A4 P08684 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
MAPT P10636 2/20 0.44
HPGD P15428 2/20 0.44
PKM P14618 2/20 0.44
CYP1A2 P05177 1/20 0.44
PPARG P37231 1/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
FGFR1 P11362 1/20 0.38
SRC P12931 1/20 0.38
LTA4H P09960 4/20 0.35
LOXL2 Q9Y4K0 2/20 0.35

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
SCHEMBL2900335 0.96 TDP1 (0.50) TDP1ALDH1A1TP53TSHRHIF1A
SCHEMBL2906413 0.88 ALDH1A1 (0.50) TDP1ALDH1A1TP53TSHRHIF1A
SCHEMBL5689043 0.87 ALDH1A1 (0.46) TDP1ALDH1A1TP53TSHRHIF1A
SCHEMBL2898859 0.85 LTA4H (0.36) CYP3A4CYP1A2LTA4HLOXL2NPC1
SCHEMBL2903660 0.85 TDP1 (0.50) TDP1ALDH1A1TP53TSHRHIF1A
SCHEMBL17183015 0.84 TDP1 (0.63) TDP1ALDH1A1TP53TSHRHIF1A
SCHEMBL2898843 0.81 ALDH1A1 (0.70) TDP1ALDH1A1TP53TSHRHIF1A
SCHEMBL2920461 0.81 TDP1 (0.53) TDP1ALDH1A1TP53TSHRHIF1A
SCHEMBL5633969 0.81 TDP1 (0.49) TDP1ALDH1A1TP53TSHRHIF1A
SCHEMBL2903513 0.81 TSHR (0.45) 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 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