SCHEMBL28033957

SCHEMBL28033957

CCC(CO)(CO)CO.O=C(O)COC(=O)c1ccc(C(=O)c2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.48
NPC1 O15118 3/20 0.48
MAPK1 P28482 1/20 0.47
HIF1A Q16665 1/20 0.47
ALOX5 P09917 1/20 0.47
LMNA P02545 1/20 0.46
GAA P10253 3/20 0.46
KDM4E B2RXH2 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 2/20 0.44
SMN1; SMN2 Q16637 4/20 0.43
ELANE P08246 1/20 0.42
TDP1 Q9NUW8 3/20 0.41
TSHR P16473 1/20 0.41
SLC6A3 Q01959 2/20 0.41
HTR1A P08908 1/20 0.41
CYP2D6 P10635 1/20 0.41
SCN1A P35498 1/20 0.41
SCN5A Q14524 1/20 0.41

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
SCHEMBL28033962 0.86 MAPK1 (0.51) RAB9ANPC1MAPK1HIF1AALOX5
Benzophenone SCHEMBL8096694 0.83 ALDH1A1 (0.56) RAB9ANPC1LMNAGAAL3MBTL1
SCHEMBL505769 0.79 MAPK1 (0.71) RAB9ANPC1MAPK1HIF1ALMNA
SCHEMBL11436193 0.79 MAPK1 (0.71) RAB9ANPC1MAPK1HIF1ALMNA
SCHEMBL582352 0.78 TDP1 (0.63) RAB9ANPC1MAPK1HIF1ALMNA
SCHEMBL28033952 0.77 MAPK1 (0.46) RAB9ANPC1MAPK1HIF1AALOX5
SCHEMBL28819015 0.77 TDP1 (0.61) RAB9ANPC1MAPK1HIF1ALMNA
Potassium SCHEMBL31360984 0.77 TDP1 (0.61) RAB9ANPC1MAPK1HIF1ALMNA
SCHEMBL27502116 0.77 TDP1 (0.61) RAB9ANPC1MAPK1HIF1ALMNA
SCHEMBL6936798 0.76 RAB9A (0.55) RAB9ANPC1MAPK1HIF1AALOX5

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