SCHEMBL5358378

SCHEMBL5358378

COC(=O)[C@H](CO)N(CCNC(=O)OC(C)(C)C)C(=O)Cn1cc(C)c(=O)[nH]c1=O

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TK1 P04183 4/20 0.36
TYMP P19971 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.33
KMT2A Q03164 2/20 0.32
LMNA P02545 1/20 0.32
MMP9 P14780 1/20 0.32
MAPK1 P28482 1/20 0.31
TK2 O00142 1/20 0.31

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
SCHEMBL6924145 0.89 TK1 (0.37) TK1TYMPSMN1; SMN2KMT2AMAPK1
SCHEMBL6928560 0.89 TK1 (0.37) TK1TYMPSMN1; SMN2KMT2AMAPK1
SCHEMBL6924142 0.84 TK1 (0.38) TK1TYMPKMT2ATK2
SCHEMBL6931032 0.84 TK1 (0.38) TK1TYMPKMT2ATK2
SCHEMBL6513732 0.84 TK1 (0.38) TK1TYMPKMT2ATK2
SCHEMBL5358371 0.83 TK1 (0.37) TK1TYMPKMT2AMAPK1TK2
SCHEMBL6513527 0.79 L3MBTL1 (0.42) TK1KMT2AMAPK1
SCHEMBL5175003 0.79 KMT2A (0.40) TK1SMN1; SMN2KMT2ALMNATK2
SCHEMBL5158820 0.78 TK1 (0.37) TK1TK2
SCHEMBL8642052 0.78 TK1 (0.39) TK1KMT2AMAPK1TK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7223833-B1 Peptide nucleic acid conjugates ISIS PHARMACEUTICALS, INC. (US) 2007-05-29 US disclosed
EP-0804456-B1 PEPTIDE NUCLEIC ACID CONJUGATES ISIS PHARMACEUTICALS INC (US) 2002-08-21 EP disclosed
EP-0804456-A4 PEPTIDE NUCLEIC ACID CONJUGATES ISIS PHARMACEUTICALS INC (US) 1999-05-19 EP disclosed
EP-0804456-A1 PEPTIDE NUCLEIC ACID CONJUGATES ISIS PHARMACEUTICALS, INC. (US) 1997-11-05 EP disclosed
WO-1996011205-A9 PEPTIDE NUCLEIC ACID CONJUGATES 1996-05-30 WO disclosed
WO-1996011205-A1 PEPTIDE NUCLEIC ACID CONJUGATES ISIS PHARMACEUTICALS, INC. (US) 1996-04-18 WO disclosed