SCHEMBL28037801

SCHEMBL28037801

O=C(O)Oc1ccccc1.OCC(CO)(CO)CO

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
ALOX15 P16050 2/20 0.42
ELANE P08246 4/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CYP19A1 P11511 1/20 0.41
MAPT P10636 2/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HSP90AA1 P07900 1/20 0.39
GAA P10253 1/20 0.39
NSD2 O96028 1/20 0.39
RECQL P46063 1/20 0.39
SLC1A3 P43003 1/20 0.39
MAPK1 P28482 1/20 0.38
HIF1A Q16665 1/20 0.38

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
SCHEMBL8962000 1.00 ATM (0.42) ATML3MBTL1TDP1ALOX15ELANE
SCHEMBL10987085 0.88 ATM (0.42) ATML3MBTL1TDP1ALOX15HPGD
Ethylene Glycol SCHEMBL11591172 0.85 ALDH1A1 (0.48) ATML3MBTL1TDP1ALOX15ELANE
SCHEMBL37064 0.84 TDP1 (0.54) ATML3MBTL1TDP1ALOX15ELANE
Ammonia Solution, Strong SCHEMBL28972528 0.82 TDP1 (0.52) ATML3MBTL1TDP1ALOX15ELANE
SCHEMBL28599729 0.82 TDP1 (0.52) ATML3MBTL1TDP1ALOX15ELANE
SCHEMBL27415781 0.82 TDP1 (0.52) ATML3MBTL1TDP1ALOX15ELANE
Ammonia Solution, Strong SCHEMBL10392312 0.82 TDP1 (0.52) ATML3MBTL1TDP1ALOX15ELANE
Hydrochloric Acid SCHEMBL8603620 0.82 TDP1 (0.52) ATML3MBTL1TDP1ALOX15ELANE
SCHEMBL28228236 0.82 TDP1 (0.52) ATML3MBTL1TDP1ALOX15ELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105131451-A Pentaerythritol phenylcarbonate type PVC composite heat stabilizer and application UNIV SHAOYANG 2015-12-09 CN disclosed
CN-105131451-A Pentaerythritol phenylcarbonate type PVC composite heat stabilizer and application UNIV SHAOYANG 2015-12-09 CN disclosed