SCHEMBL4566814

SCHEMBL4566814

C[C@@H](c1ccccc1)N1CC(COC(=O)c2ccccc2)C(NC(=O)OC(C)(C)C)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.38
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CCR5 P51681 1/20 0.37
CHRNB2 P17787 1/20 0.36
CHRNA5 P30532 1/20 0.36
CHRNA7 P36544 1/20 0.36
CHRNA4 P43681 1/20 0.36
CES2 O00748 1/20 0.36
XIAP P98170 2/20 0.36
KDM4D Q6B0I6 1/20 0.36
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
CTSL P07711 1/20 0.36
KDM1A O60341 1/20 0.36
MAOB P27338 1/20 0.36
CARM1 Q86X55 1/20 0.36
PRMT6 Q96LA8 1/20 0.36
CTSK P43235 2/20 0.36

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
SCHEMBL4566815 1.00 EPHX2 (0.38) EPHX2KMT2AL3MBTL1CCR5CHRNB2
SCHEMBL6947439 0.85 KMT2A (0.40) EPHX2KMT2AL3MBTL1CCR5KDM1A
SCHEMBL6947436 0.85 KMT2A (0.40) EPHX2KMT2AL3MBTL1CCR5KDM1A
SCHEMBL6947437 0.85 KMT2A (0.40) EPHX2KMT2AL3MBTL1CCR5KDM1A
SCHEMBL2183100 0.79 KDM1A (0.41) EPHX2KMT2AL3MBTL1CCR5KDM1A
SCHEMBL5627058 0.77 KDM1A (0.39) EPHX2KMT2AL3MBTL1CCR5KDM1A
SCHEMBL5627055 0.77 KDM1A (0.39) EPHX2KMT2AL3MBTL1CCR5KDM1A
SCHEMBL5627065 0.77 KDM1A (0.39) EPHX2KMT2AL3MBTL1CCR5KDM1A
SCHEMBL5627069 0.77 KDM1A (0.39) EPHX2KMT2AL3MBTL1CCR5KDM1A
SCHEMBL14441187 0.77 KDM1A (0.39) EPHX2KMT2AL3MBTL1CCR5KDM1A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2112991-A1 NEW SYNTHONS FOR THE SYNTHESIS OF CHIRAL PEPTIDE NUCLEIC ACIDS AND METHODS FOR PREPARING THE SAME Nanodream S.r.l. Unipersonale (IT) 2009-11-04 EP disclosed
WO-2008101515-A1 NEW SYNTHONS FOR THE SYNTHESIS OF CHIRAL PEPTIDE NUCLEIC ACIDS AND METHODS FOR PREPARING THE SAME NANODREAM S.R.L. UNIPERSONALE (IT) 2008-08-28 WO disclosed