SCHEMBL9682444

SCHEMBL9682444

c1cc(C(CCCC(c2ccc(OCC3CO3)cc2)c2ccc(OCC3CO3)cc2)c2ccc(OCC3CO3)cc2)ccc1OCC1CO1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.61
ALDH1A1 P00352 4/20 0.53
TP53 P04637 3/20 0.53
TSHR P16473 3/20 0.53
MAPT P10636 2/20 0.53
HPGD P15428 2/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
HIF1A Q16665 2/20 0.53
PKM P14618 2/20 0.53
CYP1A2 P05177 1/20 0.53
PPARG P37231 1/20 0.53
LMNA P02545 1/20 0.53
GAA P10253 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.50
CYP3A4 P08684 1/20 0.50
GRM2 Q14416 2/20 0.41
HRH3 Q9Y5N1 1/20 0.40
FGFR1 P11362 1/20 0.40
SRC P12931 1/20 0.40

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
SCHEMBL10429965 0.95 TDP1 (0.59) TDP1ALDH1A1TP53TSHRMAPT
SCHEMBL10430017 0.95 TDP1 (0.59) TDP1ALDH1A1TP53TSHRMAPT
SCHEMBL19056928 0.91 TDP1 (0.54) TDP1ALDH1A1TP53TSHRMAPT
SCHEMBL19056887 0.87 TDP1 (0.57) TDP1ALDH1A1TP53TSHRMAPT
SCHEMBL7792952 0.86 TDP1 (0.65) TDP1ALDH1A1TP53TSHRMAPT
SCHEMBL283517 0.86 TDP1 (0.56) TDP1ALDH1A1TP53TSHRMAPT
SCHEMBL232507 0.83 TDP1 (0.61) TDP1ALDH1A1TP53TSHRMAPT
SCHEMBL17359243 0.82 TDP1 (0.63) TDP1ALDH1A1TP53TSHRMAPT
SCHEMBL15246778 0.82 TDP1 (0.63) TDP1ALDH1A1TP53TSHRMAPT
SCHEMBL22294896 0.82 TDP1 (0.63) TDP1ALDH1A1TP53TSHRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0465738-A2 Process for producing tetraepoxy resins, epoxy resin compositions, tetraepoxy resins and tetrahydric phenol compounds DAINIPPON INK AND CHEMICALS, INC. (JP) 1992-01-15 EP disclosed