SCHEMBL28298924

SCHEMBL28298924

CCOc1cccc(OB(O)O)c1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 6/20 0.41
ALDH1A1 P00352 4/20 0.41
GLA P06280 1/20 0.40
PDK2 Q15119 1/20 0.37
MAPT P10636 4/20 0.36
ATM Q13315 2/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 3/20 0.36
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 2/20 0.36
NPC1 O15118 1/20 0.36
GAA P10253 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HCRTR1 O43613 1/20 0.36
ENPP2 Q13822 1/20 0.36
DAO P14920 1/20 0.36
KDM4E B2RXH2 1/20 0.35
PABPC1 P11940 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL3785688 0.84 ALDH1A1 (0.52) L3MBTL1ALDH1A1GLAPDK2MAPT
SCHEMBL7931698 0.81 L3MBTL1 (0.53) L3MBTL1ALDH1A1GLAMAPTGAA
SCHEMBL29951150 0.80 ENPP2 (0.46) L3MBTL1ALDH1A1GLAPDK2MAPT
SCHEMBL14120757 0.80 ENPP2 (0.46) L3MBTL1ALDH1A1GLAPDK2MAPT
SCHEMBL10762652 0.77 ALDH1A1 (0.45) L3MBTL1ALDH1A1GLAMAPTATM
SCHEMBL1066091 0.76 TSHR (0.45) L3MBTL1ALDH1A1GLAPDK2MAPT
SCHEMBL29544564 0.75 TSHR (0.43) L3MBTL1ALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL6680350 0.75 TSHR (0.43) L3MBTL1ALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL1547751 0.75 L3MBTL1 (0.54) L3MBTL1ALDH1A1MAPTATMRAB9A
Methyl Alcohol SCHEMBL11789519 0.74 TSHR (0.43) L3MBTL1ALDH1A1GLAPDK2MAPT

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-109863146-A Aryl-linking compound as immunomodulator 百时美施贵宝公司 2019-06-07 CN disclosed