SCHEMBL28512165

SCHEMBL28512165

CC(C)(C)OC(=O)COC(=O)c1ccc[nH]1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.51
NPC1 O15118 4/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
GAA P10253 2/20 0.49
POLB P06746 1/20 0.46
THRB P10828 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
RECQL P46063 1/20 0.43
ATM Q13315 1/20 0.43
L3MBTL1 Q9Y468 3/20 0.42
GBA1 P04062 1/20 0.42
MAPT P10636 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
LMNA P02545 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
SCHEMBL645520 0.82 RAB9A (0.56) RAB9ANPC1SMN1; SMN2GAAPOLB
Hydrochloric Acid SCHEMBL28853901 0.80 RAB9A (0.55) RAB9ANPC1SMN1; SMN2GAAPOLB
SCHEMBL30302109 0.80 RAB9A (0.55) RAB9ANPC1SMN1; SMN2GAAPOLB
SCHEMBL5162856 0.78 RAB9A (0.57) RAB9ANPC1SMN1; SMN2GAAPOLB
SCHEMBL4423573 0.78 RAB9A (0.52) RAB9ANPC1SMN1; SMN2GAAPOLB
Oxalic Acid SCHEMBL30696169 0.78 RAB9A (0.52) RAB9ANPC1SMN1; SMN2GAAMEN1
SCHEMBL30688000 0.76 RAB9A (0.55) RAB9ANPC1SMN1; SMN2GAAPOLB
SCHEMBL30687999 0.76 RAB9A (0.55) RAB9ANPC1SMN1; SMN2GAAPOLB
SCHEMBL428389 0.75 RAB9A (0.53) RAB9ANPC1SMN1; SMN2GAAPOLB
SCHEMBL29524553 0.75 RAB9A (0.54) RAB9ANPC1SMN1; SMN2GAAPOLB

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-112279848-A Pan-JAKs inhibitor and application thereof 四川海思科制药有限公司 2021-01-29 CN disclosed