SCHEMBL7624178

SCHEMBL7624178

[CH2]CCCCCCCCCCCCCOOC(=O)c1ccccc1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SCN1A P35498 5/20 0.46
SCN2A Q99250 5/20 0.46
SCN3A Q9NY46 5/20 0.46
BCAT2 O15382 1/20 0.41
PTPN11 Q06124 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CHRNB2 P17787 4/20 0.38
CHRNB4 P30926 4/20 0.38
CHRNA3 P32297 4/20 0.38
CHRNA4 P43681 4/20 0.38
SLC6A3 Q01959 3/20 0.38
SLC6A4 P31645 2/20 0.38
ADORA3 P0DMS8 1/20 0.37
TSHR P16473 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL7630549 1.00 SCN1A (0.46) SCN1ASCN2ASCN3ABCAT2PTPN11
SCHEMBL7630646 1.00 SCN1A (0.46) SCN1ASCN2ASCN3ABCAT2PTPN11
SCHEMBL7634074 0.99 SCN1A (0.47) SCN1ASCN2ASCN3ABCAT2MEN1
SCHEMBL7632745 0.94 SCN1A (0.48) SCN1ASCN2ASCN3ABCAT2MEN1
SCHEMBL7625649 0.88 SCN1A (0.49) SCN1ASCN2ASCN3ABCAT2MEN1
SCHEMBL7636979 0.82 SCN1A (0.42) SCN1ASCN2ASCN3ABCAT2MEN1
SCHEMBL7627335 0.82 SCN1A (0.42) SCN1ASCN2ASCN3ABCAT2MEN1
SCHEMBL7635606 0.82 BCAT2 (0.49) SCN1ASCN2ASCN3ABCAT2MEN1
SCHEMBL7632823 0.81 SMN1; SMN2 (0.47) KMT2ASMN1; SMN2TSHRALDH1A1LMNA
SCHEMBL7623977 0.81 SMN1; SMN2 (0.47) KMT2ASMN1; SMN2TSHRALDH1A1LMNA

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