SCHEMBL27465110

SCHEMBL27465110

CC(=O)C(=Cc1ccco1)C(=O)O

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.71
TDP1 Q9NUW8 4/20 0.71
POLB P06746 4/20 0.71
L3MBTL1 Q9Y468 3/20 0.71
KDM4E B2RXH2 1/20 0.71
KMT2A Q03164 4/20 0.56
TSHR P16473 1/20 0.56
CYP2C19 P33261 1/20 0.56
MEN1 O00255 3/20 0.54
MASP2 O00187 1/20 0.49
F2 P00734 1/20 0.49
HCAR2 Q8TDS4 1/20 0.49
GAA P10253 1/20 0.46
RECQL P46063 1/20 0.45
ALDH1A1 P00352 4/20 0.44
PKM P14618 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HPGD P15428 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
SCHEMBL9316158 0.91 MAPT (0.63) MAPTTDP1POLBL3MBTL1KDM4E
SCHEMBL3196199 0.89 MAPT (0.70) MAPTTDP1POLBL3MBTL1KDM4E
SCHEMBL6053977 0.81 MAPT (0.66) MAPTTDP1POLBL3MBTL1KDM4E
SCHEMBL744521 0.81 MAPT (0.66) MAPTTDP1POLBL3MBTL1KDM4E
SCHEMBL9401906 0.81 MAPT (0.61) MAPTTDP1POLBL3MBTL1KDM4E
SCHEMBL20176812 0.81 MAPT (0.61) MAPTTDP1POLBL3MBTL1KDM4E
SCHEMBL9401911 0.81 MAPT (0.61) MAPTTDP1POLBL3MBTL1KDM4E
SCHEMBL12358254 0.79 MAPT (0.58) MAPTTDP1POLBL3MBTL1KDM4E
SCHEMBL24691595 0.78 MAPT (0.57) MAPTTDP1POLBL3MBTL1KDM4E
SCHEMBL10377521 0.78 TDP1 (0.63) MAPTTDP1POLBL3MBTL1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116287032-A Method for preparing 3-oxo-ethyl butyrate derivative by reacting aromatic aldehyde with ethyl acetoacetate under enzyme catalysis 岭南师范学院 2023-06-23 CN disclosed
CN-1083474-A The preparation of dihydrogen pyridine derivative MEI QIBING (CN) 1994-03-09 CN disclosed