SCHEMBL28033952

SCHEMBL28033952

O=C(COC(=O)c1ccc(C(=O)c2ccccc2)cc1)OCCC(CO)(CO)CO

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.46
HIF1A Q16665 1/20 0.46
ALOX5 P09917 1/20 0.46
GAA P10253 3/20 0.46
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
HPGD P15428 1/20 0.43
PPARA Q07869 2/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
NPY1R P25929 1/20 0.40
NPY2R P49146 1/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 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
SCHEMBL505770 0.84 TDP1 (0.61) MAPK1HIF1AGAAALDH1A1KDM4E
SCHEMBL11517160 0.79 ESR1 (0.47) MAPK1HIF1AGAAALDH1A1TDP1
SCHEMBL28033957 0.77 RAB9A (0.48) MAPK1HIF1AALOX5GAAALDH1A1
SCHEMBL28033962 0.77 MAPK1 (0.51) MAPK1HIF1AALOX5GAAALDH1A1
SCHEMBL3197513 0.74 RAB9A (0.51) MAPK1HIF1AALOX5GAAALDH1A1
SCHEMBL11239419 0.74 TDP1 (0.70) MAPK1HIF1AALOX5GAAALDH1A1
SCHEMBL13799195 0.74 TDP1 (0.56) MAPK1HIF1AALOX5GAAALDH1A1
SCHEMBL18668948 0.74 TDP1 (0.66) MAPK1HIF1AGAAALDH1A1KDM4E
SCHEMBL11853906 0.73 TDP1 (0.46) MAPK1HIF1AALDH1A1TDP1LMNA
SCHEMBL4762079 0.73 GAA (0.64) MAPK1HIF1AALOX5GAAALDH1A1

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-104987435-A Benzophenone macromolecular photoinitiator and preparation method thereof TIANJIN JIURI CHEMICAL CO LTD 2015-10-21 CN disclosed