SCHEMBL7635606

SCHEMBL7635606

[CH2]COOC(=O)c1ccccc1-c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.49
SCN1A P35498 5/20 0.48
SCN2A Q99250 5/20 0.48
SCN3A Q9NY46 5/20 0.48
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CHRNB2 P17787 4/20 0.44
CHRNB4 P30926 4/20 0.44
CHRNA3 P32297 4/20 0.44
CHRNA4 P43681 4/20 0.44
SLC6A3 Q01959 3/20 0.44
SLC6A4 P31645 2/20 0.44
HNF4A P41235 1/20 0.42
ALDH1A1 P00352 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
TSHR P16473 1/20 0.41
RECQL P46063 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL7625649 0.87 SCN1A (0.49) BCAT2SCN1ASCN2ASCN3AMEN1
SCHEMBL7632745 0.84 SCN1A (0.48) BCAT2SCN1ASCN2ASCN3AMEN1
SCHEMBL9790236 0.84 BCAT2 (0.61) BCAT2SCN1ASCN2ASCN3AMEN1
SCHEMBL7634074 0.83 SCN1A (0.47) BCAT2SCN1ASCN2ASCN3AMEN1
SCHEMBL7630549 0.82 SCN1A (0.46) BCAT2SCN1ASCN2ASCN3AMEN1
SCHEMBL7624178 0.82 SCN1A (0.46) BCAT2SCN1ASCN2ASCN3AMEN1
SCHEMBL7630646 0.82 SCN1A (0.46) BCAT2SCN1ASCN2ASCN3AMEN1
SCHEMBL7633509 0.82 BCAT2 (0.47) BCAT2SCN1ASCN2ASCN3AMEN1
SCHEMBL7631221 0.81 BCAT2 (0.53) BCAT2SCN1ASCN2ASCN3AMEN1
SCHEMBL3964332 0.80 BCAT2 (0.57) BCAT2SCN1ASCN2ASCN3AMEN1

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-1233014-A1 ASYMMETRIC ORGANIC PEROXIDE, CROSSLINKING AGENT COMPRISING THE SAME, AND METHOD OF CROSSLINKING WITH THE SAME NOF CORPORATION (JP) 2002-08-21 EP disclosed