SCHEMBL28008248

SCHEMBL28008248

CC(C)OC(=O)COCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.64
MAPT P10636 2/20 0.54
FAAH O00519 4/20 0.50
NPC1 O15118 1/20 0.48
MGLL Q99685 1/20 0.46
ALDH1A1 P00352 3/20 0.46
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
GRM5 P41594 1/20 0.43
SLC1A1 P43005 1/20 0.42
PTPRC P08575 1/20 0.42
PTPN1 P18031 1/20 0.42
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 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
SCHEMBL22087977 0.92 TSHR (0.58) TSHRMAPTFAAHNPC1MGLL
SCHEMBL19426804 0.88 TSHR (0.54) TSHRMAPTFAAHMGLLALDH1A1
SCHEMBL135319 0.87 TSHR (0.57) TSHRMAPTFAAHNPC1MGLL
SCHEMBL2690042 0.87 TSHR (0.47) TSHRMAPTFAAHNPC1MGLL
SCHEMBL6892235 0.87 TSHR (0.47) TSHRMAPTFAAHNPC1MGLL
SCHEMBL9422960 0.87 TSHR (0.47) TSHRMAPTFAAHNPC1MGLL
SCHEMBL16673035 0.85 TSHR (0.46) TSHRMAPTFAAHNPC1MGLL
SCHEMBL20295192 0.83 TSHR (0.60) TSHRMAPTALDH1A1MAPK1L3MBTL1
SCHEMBL19747323 0.81 TSHR (0.57) TSHRMAPTALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL1171919 0.80 TSHR (0.52) TSHRMAPTNPC1ALDH1A1MAPK1

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-104412441-A Nonaqueous electrolyte solution and nonaqueous electrolyte battery using same MITSUBISHI CHEM CORP 2015-03-11 CN disclosed