SCHEMBL28968872

SCHEMBL28968872

CC(C)(OC(=O)OC(C)(C)c1ccco1)c1ccco1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
RAB9A P51151 4/20 0.39
NPC1 O15118 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
KMT2A Q03164 7/20 0.37
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 3/20 0.37
POLB P06746 3/20 0.37
TSHR P16473 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HTT P42858 1/20 0.35
PTPN1 P18031 2/20 0.34
TP53 P04637 1/20 0.34
GAA P10253 1/20 0.34
RIPK1 Q13546 1/20 0.34
THRB P10828 1/20 0.33
APEX1 P27695 1/20 0.33
RECQL P46063 1/20 0.33

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
SCHEMBL28968874 0.87 MAPT (0.45) MAPTRAB9ANPC1SMN1; SMN2CES2
SCHEMBL12390099 0.82 MAPT (0.38) MAPTRAB9ANPC1SMN1; SMN2CES2
SCHEMBL74952 0.81 MAPT (0.47) MAPTRAB9ANPC1SMN1; SMN2CES2
SCHEMBL75128 0.81 MAPT (0.41) MAPTRAB9ANPC1SMN1; SMN2CES2
SCHEMBL14073816 0.79 ALDH1A1 (0.39) MAPTRAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL8100623 0.78 MAPT (0.44) MAPTRAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL14622470 0.78 MAPT (0.46) MAPTRAB9ANPC1SMN1; SMN2CES2
SCHEMBL12390037 0.75 MAPT (0.43) MAPTCES2CES1KMT2AALDH1A1
SCHEMBL4829965 0.74 MAPT (0.42) MAPTKMT2AALDH1A1MEN1POLB
SCHEMBL27582390 0.73 MAPT (0.42) MAPTRAB9ANPC1SMN1; SMN2KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115819379-A Preparation method of dimethylfurfuryl carbonate 中国科学院大连化学物理研究所 2023-03-21 CN claimed
CN-115819379-A Preparation method of dimethylfurfuryl carbonate 中国科学院大连化学物理研究所 2023-03-21 CN disclosed
CN-115819379-A Preparation method of dimethylfurfuryl carbonate 中国科学院大连化学物理研究所 2023-03-21 CN disclosed
CN-115819379-A Preparation method of dimethylfurfuryl carbonate 中国科学院大连化学物理研究所 2023-03-21 CN disclosed