SCHEMBL9723883

SCHEMBL9723883

CC=C(C(=O)OCC)c1ccc(Cl)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.49
TDP1 Q9NUW8 4/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
LMNA P02545 1/20 0.49
KMT2A Q03164 4/20 0.49
MEN1 O00255 1/20 0.49
NR1I2 O75469 1/20 0.49
POLB P06746 1/20 0.47
THRB P10828 1/20 0.47
RECQL P46063 1/20 0.47
ALDH1A1 P00352 3/20 0.46
MAPK1 P28482 1/20 0.46
HIF1A Q16665 1/20 0.46
TSHR P16473 1/20 0.46
CASP1 P29466 1/20 0.46
CYP3A4 P08684 1/20 0.46
KDM4E B2RXH2 2/20 0.45
GAA P10253 1/20 0.45
HPGD P15428 1/20 0.44

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
SCHEMBL9723882 1.00 MAPT (0.49) MAPTTDP1L3MBTL1SMN1; SMN2LMNA
SCHEMBL7055382 0.87 MAPT (0.47) MAPTTDP1L3MBTL1SMN1; SMN2LMNA
SCHEMBL7055390 0.87 MAPT (0.47) MAPTTDP1L3MBTL1SMN1; SMN2LMNA
SCHEMBL2706971 0.83 TDP1 (0.51) MAPTTDP1L3MBTL1SMN1; SMN2KMT2A
SCHEMBL9723904 0.83 ALDH1A1 (0.54) MAPTTDP1L3MBTL1SMN1; SMN2KMT2A
SCHEMBL9723906 0.83 ALDH1A1 (0.54) MAPTTDP1L3MBTL1SMN1; SMN2KMT2A
SCHEMBL9667415 0.80 CYP3A4 (0.50) MAPTTDP1L3MBTL1SMN1; SMN2KMT2A
SCHEMBL522136 0.79 KMT2A (0.59) MAPTTDP1L3MBTL1SMN1; SMN2KMT2A
SCHEMBL17434551 0.79 TDP1 (0.48) MAPTTDP1L3MBTL1SMN1; SMN2KMT2A
SCHEMBL20924923 0.78 MAPT (0.56) MAPTTDP1L3MBTL1SMN1; SMN2LMNA

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
US-5169958-A Reacting, 3-amino-2-propen-1-ones with magnesium halide in solvent BASF AKTIENGESELLSCHAFT (DE) 1992-12-08 US disclosed