SCHEMBL29375709

SCHEMBL29375709

CCCCCCOc1ccc(/C=C/C(=O)O)cc1OCCCCCC

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.71
KMT2A Q03164 2/20 0.70
GAA P10253 1/20 0.70
ACHE P22303 4/20 0.67
POLB P06746 1/20 0.67
AKR1C3 P42330 2/20 0.63
MEN1 O00255 1/20 0.61
LMNA P02545 1/20 0.60
ALDH1A1 P00352 1/20 0.56
HPGD P15428 1/20 0.56
ALOX15 P16050 1/20 0.56
MAPK1 P28482 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
HSD17B10 Q99714 1/20 0.56
SNCA P37840 1/20 0.55
TOP2A P11388 1/20 0.55
FDPS P14324 1/20 0.53
CNR2 P34972 2/20 0.53

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
SCHEMBL7897293 1.00 KDM4E (0.71) KDM4EKMT2AGAAACHEPOLB
SCHEMBL28386561 1.00 KDM4E (0.71) KDM4EKMT2AGAAACHEPOLB
SCHEMBL6513271 1.00 KDM4E (0.71) KDM4EKMT2AGAAACHEPOLB
SCHEMBL7524738 0.94 KDM4E (0.75) KDM4EKMT2AGAAACHEPOLB
SCHEMBL7524744 0.94 KDM4E (0.75) KDM4EKMT2AGAAACHEPOLB
SCHEMBL7966395 0.93 KDM4E (0.83) KDM4EKMT2AGAAACHEPOLB
SCHEMBL7966392 0.93 KDM4E (0.83) KDM4EKMT2AGAAACHEPOLB
SCHEMBL7966711 0.93 KDM4E (0.74) KDM4EKMT2AGAAACHEPOLB
SCHEMBL7966717 0.93 KDM4E (0.74) KDM4EKMT2AGAAACHEPOLB
SCHEMBL2282643 0.92 KDM4E (0.85) KDM4EKMT2AGAAACHEPOLB

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-110684002-B Acylhydrazone fluoride ion probe based on flavone 南京林业大学 2022-02-08 CN disclosed