SCHEMBL7627482

SCHEMBL7627482

CC[C](C)OOC(=O)c1ccccc1-c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SCN1A P35498 5/20 0.52
▸ SCN2A Q99250 5/20 0.52
▸ SCN3A Q9NY46 5/20 0.52
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ BCAT2 O15382 1/20 0.46
▸ SLC6A3 Q01959 3/20 0.45
▸ SLC6A4 P31645 2/20 0.45
▸ CHRNB2 P17787 4/20 0.45
▸ CHRNB4 P30926 4/20 0.45
▸ CHRNA3 P32297 4/20 0.45
▸ CHRNA4 P43681 4/20 0.45
▸ LMNA P02545 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ GAA P10253 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ KDM4E B2RXH2 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
SCHEMBL7623584 0.85 SCN1A (0.47) SCN1ASCN2ASCN3AMEN1KMT2A
SCHEMBL9790236 0.85 BCAT2 (0.61) SCN1ASCN2ASCN3AMEN1KMT2A
SCHEMBL7630691 0.83 BCAT2 (0.52) SCN1ASCN2ASCN3AMEN1KMT2A
SCHEMBL7635137 0.83 SOAT1 (0.50) SCN1ASCN2ASCN3AMEN1KMT2A
SCHEMBL8575646 0.82 SLC6A3 (0.56) SCN1ASCN2ASCN3AMEN1KMT2A
SCHEMBL7625469 0.79 CTSD (0.50) KMT2ASMN1; SMN2LMNAALDH1A1L3MBTL1
SCHEMBL28754662 0.79 SCN1A (0.60) SCN1ASCN2ASCN3AMEN1KMT2A
SCHEMBL7631559 0.79 TSHR (0.47) MEN1KMT2ASMN1; SMN2LMNAALDH1A1
SCHEMBL7633922 0.78 HCRTR1 (0.53) MEN1KMT2ALMNAALDH1A1L3MBTL1
SCHEMBL3964332 0.78 BCAT2 (0.57) SCN1ASCN2ASCN3AMEN1KMT2A

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
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