SCHEMBL29706148

SCHEMBL29706148

c1cc(OCC2CO2)cc(C(COCC2CO2)OCC2CO2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.59
TP53 P04637 3/20 0.59
TSHR P16473 3/20 0.59
HIF1A Q16665 2/20 0.59
CYP3A4 P08684 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
TDP1 Q9NUW8 1/20 0.49
FGFR1 P11362 1/20 0.39
SRC P12931 1/20 0.39
GRM2 Q14416 1/20 0.38
KMT2A Q03164 3/20 0.38
MAPT P10636 3/20 0.38
HPGD P15428 2/20 0.38
MEN1 O00255 2/20 0.38
PKM P14618 2/20 0.38
CYP1A2 P05177 1/20 0.38
PPARG P37231 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
GLA P06280 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
SCHEMBL29717315 0.83 TDP1 (0.50) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL730116 0.82 TDP1 (0.46) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL13384516 0.80 ALDH1A1 (0.74) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL34467297 0.80 ALDH1A1 (0.74) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL27788836 0.78 ALDH1A1 (0.89) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL10259493 0.77 ALDH1A1 (0.70) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL14095005 0.77 ALDH1A1 (0.70) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL38656380 0.77 ALDH1A1 (0.70) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL10259100 0.77 ALDH1A1 (0.70) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL31537008 0.76 ALDH1A1 (1.00) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110945049-B Epoxy resin, epoxy resin composition containing same, and cured product using same DIC株式会社 2022-06-17 CN disclosed