SCHEMBL7559068

SCHEMBL7559068

C=C(C)C(=O)OC(=O)c1cccc2ccccc12.[MgH2]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.48
POLB P06746 3/20 0.48
GAA P10253 1/20 0.48
NR4A1 P22736 1/20 0.47
NR4A2 P43354 1/20 0.47
NR4A3 Q92570 1/20 0.47
PTPN1 P18031 1/20 0.46
PLK1 P53350 1/20 0.46
CDC25B P30305 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
PTK2B Q14289 1/20 0.45
ALDH1A1 P00352 4/20 0.44
HPGD P15428 4/20 0.44
KDM4E B2RXH2 4/20 0.44
MAPT P10636 4/20 0.44
MEN1 O00255 3/20 0.44
GMNN O75496 2/20 0.44
LMNA P02545 2/20 0.44
MAPK1 P28482 2/20 0.44
BLM P54132 2/20 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
SCHEMBL559036 0.98 KMT2A (0.49) KMT2APOLBGAANR4A1NR4A2
SCHEMBL3971133 0.97 KMT2A (0.48) KMT2APOLBGAANR4A1NR4A2
SCHEMBL3971919 0.97 KMT2A (0.48) KMT2APOLBGAANR4A1NR4A2
SCHEMBL11140059 0.85 NR4A1 (0.52) KMT2APOLBGAANR4A1NR4A2
SCHEMBL28658367 0.83 CDC25B (0.51) KMT2APOLBGAANR4A1NR4A2
SCHEMBL2992730 0.83 TSHR (0.45) POLBL3MBTL1ALDH1A1HPGDKDM4E
SCHEMBL22880334 0.83 KMT2A (0.49) KMT2APOLBGAANR4A1NR4A2
SCHEMBL29600980 0.83 KMT2A (0.49) KMT2APOLBGAANR4A1NR4A2
SCHEMBL775617 0.82 NR4A1 (0.55) KMT2APOLBGAANR4A1NR4A2
Ethylene SCHEMBL10012407 0.81 NR4A1 (0.59) KMT2APOLBGAANR4A1NR4A2

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
EP-1227111-A1 TRIPHENYLBORON-CONTAINING POLYMERS AND USE THEREOF Yoshitomi Fine Chemicals, Ltd. (JP) 2002-07-31 EP disclosed