SCHEMBL28033962

SCHEMBL28033962

O=C(O)COC(=O)c1ccc(C(=O)c2ccccc2)cc1.OCC(CO)(CO)COCC(CO)(CO)CO

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.51
HIF1A Q16665 1/20 0.51
ALOX5 P09917 1/20 0.47
ALDH1A1 P00352 5/20 0.46
GAA P10253 3/20 0.46
KDM4E B2RXH2 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
HPGD P15428 2/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TDP1 Q9NUW8 2/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KMT2A Q03164 1/20 0.41
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 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
SCHEMBL28033957 0.86 RAB9A (0.48) MAPK1HIF1AALOX5ALDH1A1GAA
SCHEMBL8432313 0.82 MAPK1 (0.71) MAPK1HIF1AALDH1A1GAAKDM4E
SCHEMBL2333610 0.78 MAPK1 (0.81) MAPK1HIF1AALDH1A1GAAKDM4E
SCHEMBL582352 0.78 TDP1 (0.63) MAPK1HIF1AALDH1A1GAAKDM4E
SCHEMBL28033952 0.77 MAPK1 (0.46) MAPK1HIF1AALOX5ALDH1A1GAA
Potassium SCHEMBL31360984 0.77 TDP1 (0.61) MAPK1HIF1AALDH1A1GAAKDM4E
SCHEMBL28819015 0.77 TDP1 (0.61) MAPK1HIF1AALDH1A1GAAKDM4E
SCHEMBL27502116 0.77 TDP1 (0.61) MAPK1HIF1AALDH1A1GAAKDM4E
SCHEMBL9563647 0.75 MAPK1 (0.89) MAPK1HIF1AALDH1A1GAAKDM4E
SCHEMBL4576866 0.75 MAPK1 (0.81) MAPK1HIF1AALDH1A1GAAKDM4E

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