SCHEMBL7630691

SCHEMBL7630691

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCAT2 O15382 1/20 0.52
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ SCN1A P35498 5/20 0.50
▸ SCN2A Q99250 5/20 0.50
▸ SCN3A Q9NY46 5/20 0.50
▸ SLC6A3 Q01959 4/20 0.50
▸ SLC6A4 P31645 3/20 0.50
▸ CHRNB2 P17787 3/20 0.46
▸ CHRNB4 P30926 3/20 0.46
▸ CHRNA3 P32297 3/20 0.46
▸ CHRNA4 P43681 3/20 0.46
▸ HNF4A P41235 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ SLC6A2 P23975 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ RECQL P46063 1/20 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
SCHEMBL9790236 0.91 BCAT2 (0.61) BCAT2MEN1KMT2ASMN1; SMN2SCN1A
SCHEMBL8575646 0.84 SLC6A3 (0.56) BCAT2MEN1KMT2ASMN1; SMN2SCN1A
SCHEMBL7627482 0.83 SCN1A (0.52) BCAT2MEN1KMT2ASMN1; SMN2SCN1A
SCHEMBL3964332 0.83 BCAT2 (0.57) BCAT2MEN1KMT2ASMN1; SMN2SCN1A
SCHEMBL7632012 0.82 BCAT2 (0.52) BCAT2MEN1KMT2ASMN1; SMN2SCN1A
SCHEMBL7623584 0.81 SCN1A (0.47) BCAT2MEN1KMT2ASMN1; SMN2SCN1A
SCHEMBL7631221 0.80 BCAT2 (0.53) BCAT2MEN1KMT2ASMN1; SMN2SCN1A
SCHEMBL1775832 0.79 SLC6A3 (0.74) BCAT2MEN1KMT2ASMN1; SMN2SCN1A
SCHEMBL5405959 0.79 SCN1A (0.52) BCAT2MEN1KMT2ASMN1; SMN2SCN1A
SCHEMBL28444799 0.79 BCAT2 (0.61) BCAT2MEN1KMT2ASMN1; SMN2SCN1A

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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