SCHEMBL5355032

SCHEMBL5355032

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA14 Q9ULX7 4/20 0.40
CA12 O43570 3/20 0.34
CA2 P00918 2/20 0.34
CA1 P00915 2/20 0.33
DGAT1 O75907 1/20 0.32
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CA7 P43166 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
SSTR4 P31391 1/20 0.30
TSHR P16473 1/20 0.30
CASR P41180 1/20 0.30

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
SCHEMBL3838042 0.90 CA14 (0.44) CA14CA12CA2CA1DGAT1
SCHEMBL20262979 0.86 CA14 (0.42) CA14CA12CA2CA1DGAT1
SCHEMBL28686036 0.85 KMT2A (0.44) CA14CA12CA2CA1DGAT1
SCHEMBL18798854 0.85 CA14 (0.41) CA14CA12CA2CA1DGAT1
SCHEMBL19187893 0.84 CA14 (0.41) CA14CA12CA2CA1DGAT1
SCHEMBL2152971 0.84 CYP1A2 (0.40) CA14CA12CA2CA1MGAM
SCHEMBL12924143 0.84 CA14 (0.47) CA14CA12CA1DGAT1CA7
SCHEMBL11521511 0.83 CA14 (0.39) CA14HDAC1HDAC2HDAC6KDM4E
SCHEMBL15597263 0.82 CA14 (0.41) CA14CA12CA1CA7HDAC1
SCHEMBL1688828 0.82 CA14 (0.41) CA14CA12CA2CA1DGAT1

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