SCHEMBL6835429

SCHEMBL6835429

O=C(OCCO)c1ccccc1.O=C(OCCOC(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.70
LMNA P02545 2/20 0.66
ALDH1A1 P00352 1/20 0.60
MAPK1 P28482 1/20 0.57
HIF1A Q16665 1/20 0.57
SLC6A2 P23975 1/20 0.57
SLC6A3 Q01959 1/20 0.57
KMT2A Q03164 1/20 0.57
ESR1 P03372 1/20 0.56
ESR2 Q92731 1/20 0.56
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.53
SLC7A5 Q01650 1/20 0.53
F2 P00734 1/20 0.52
TSHR P16473 1/20 0.52
GAA P10253 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL18616298 0.98 TDP1 (0.68) TDP1LMNAALDH1A1MAPK1HIF1A
SCHEMBL55026 0.98 TDP1 (0.73) TDP1LMNAALDH1A1MAPK1HIF1A
Ethylene Glycol SCHEMBL4197893 0.96 TDP1 (0.70) TDP1LMNAALDH1A1MAPK1HIF1A
Water SCHEMBL12971528 0.96 TDP1 (0.70) TDP1LMNAALDH1A1MAPK1HIF1A
Ammonia Solution, Strong SCHEMBL10950076 0.96 TDP1 (0.70) TDP1LMNAALDH1A1MAPK1HIF1A
SCHEMBL28213042 0.96 TDP1 (0.70) TDP1LMNAALDH1A1MAPK1HIF1A
Ethylene SCHEMBL8473196 0.94 TDP1 (0.68) TDP1LMNAALDH1A1MAPK1HIF1A
Ethylene Glycol SCHEMBL226024 0.94 TDP1 (0.73) TDP1LMNAALDH1A1MAPK1HIF1A
Benzoic Acid SCHEMBL27586722 0.92 TDP1 (0.66) TDP1LMNAALDH1A1MAPK1HIF1A
SCHEMBL137486 0.91 TDP1 (0.83) TDP1LMNAALDH1A1MAPK1HIF1A

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
US-20040063862-A1 Catalyst obtained by prepolymerization of polyolefin and olefin polymerization method using the same HANWHA TOTAL PETROCHEMICAL CO., LTD. (KR) 2004-04-01 US disclosed