SCHEMBL28608563

SCHEMBL28608563

CCO[PH](=O)CCc1ccccc1OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 5/20 0.56
DRD2 P14416 4/20 0.56
ABCB1 P08183 9/20 0.50
GAA P10253 1/20 0.49
MGLL Q99685 1/20 0.47
PTGER1 P34995 1/20 0.47
PTGER4 P35408 1/20 0.47
PTGER3 P43115 1/20 0.47
PTGER2 P43116 1/20 0.47
ADRA1D P25100 1/20 0.46
ADRA1A P35348 1/20 0.46
ADRA1B P35368 1/20 0.46
ABCG2 Q9UNQ0 2/20 0.45
MAPT P10636 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
MAPK1 P28482 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MRGPRX4 Q96LA9 1/20 0.43
FOLH1 Q04609 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL28601685 0.81 L3MBTL1 (0.53) MAPTL3MBTL1TDP1NPSR1
SCHEMBL28603322 0.80 ABCB1 (0.52) HTR1ADRD2ABCB1ABCG2L3MBTL1
SCHEMBL23881678 0.80 HTR1A (0.63) HTR1ADRD2ABCB1GAAMGLL
SCHEMBL8290989 0.78 TAAR1 (0.40) MAPTL3MBTL1TDP1
SCHEMBL10784832 0.77 HTR1A (0.73) HTR1ADRD2ABCB1GAAMGLL
SCHEMBL1894256 0.77 HTR1A (0.67) HTR1ADRD2ABCB1GAAMGLL
SCHEMBL27714342 0.75 HTR1A (0.65) HTR1ADRD2ABCB1GAAMGLL
SCHEMBL26698909 0.74 L3MBTL1 (0.54) GAAMAPTL3MBTL1MAPK1TDP1
SCHEMBL1412912 0.74 HTR1A (0.73) HTR1ADRD2ABCB1GAAMGLL
Formaldehyde SCHEMBL27699996 0.74 HTR1A (0.62) HTR1ADRD2ABCB1GAAMGLL

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-113166182-A Aminopeptidase A inhibitor and pharmaceutical composition comprising the same 量子基因公司 2021-07-23 CN disclosed