SCHEMBL2589264

SCHEMBL2589264

COC(=O)CNC(=O)CN(C)C(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.46
CA14 Q9ULX7 3/20 0.41
CA12 O43570 2/20 0.41
CA2 P00918 2/20 0.41
TET2 Q6N021 1/20 0.39
PRSS1 P07477 1/20 0.34
TPSAB1 Q15661 1/20 0.34
CA1 P00915 1/20 0.33
BIRC2 Q13490 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
DGAT1 O75907 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GAA P10253 3/20 0.32
KDM4E B2RXH2 1/20 0.32
EPHX2 P34913 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 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
SCHEMBL7023795 0.84 CA14 (0.39) CA14CA12CA2TET2CA1
SCHEMBL2586333 0.84 CAPN1 (0.33) CA14PRSS1TPSAB1
SCHEMBL7174226 0.83 CA14 (0.34) CA14PRSS1TPSAB1DGAT1HDAC1
SCHEMBL17832808 0.83 CA14 (0.36) CA14CA12PRSS1TPSAB1CA1
SCHEMBL21070172 0.81 CA14 (0.39) RECQLCA14CA12CA2TET2
SCHEMBL5355822 0.80 CA14 (0.36) RECQLCA14CA12CA2TET2
SCHEMBL23388563 0.80 RECQL (0.42) RECQLCA14CA12CA2TET2
SCHEMBL31485763 0.79 CA14 (0.36) CA14CA12CA2CA1TSHR
SCHEMBL6526008 0.79 HDAC6 (0.34) CA14CA12PRSS1TPSAB1CA1
SCHEMBL1105464 0.79 HDAC6 (0.34) CA14CA12PRSS1TPSAB1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8350077-B2 Amides of creatine, method of their preparation, and remedy possessing a neuroprotective activity VERTEX CLOSED JOINT STOCK COMPANY (RU) 2013-01-08 US disclosed
US-20110269986-A1 AMIDES OF CREATNE, METHOD OF THEIR PREPARATION, AND REMEDY POSSESSING A NEUROPROTECTIVE ACTIVITY AMIDE BEVERAGE COMPANY, LLC 2011-11-03 US disclosed
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