SCHEMBL5353992

SCHEMBL5353992

CCC(NC(=O)OC(C)(C)C)C(N)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA7 P43166 2/20 0.50
CTSK P43235 12/20 0.47
CTSS P25774 6/20 0.47
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP2D6 P10635 1/20 0.39
CA4 P22748 1/20 0.39
CA9 Q16790 1/20 0.39
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTT P42858 1/20 0.38
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 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
SCHEMBL25871014 0.83 CA1 (0.57) CA1CA2CA7CTSKCTSS
SCHEMBL14923549 0.83 CA1 (0.53) CA1CA2CA7CTSKCTSS
SCHEMBL14923467 0.83 CA1 (0.57) CA1CA2CA7CTSKCTSS
SCHEMBL19859640 0.81 CA1 (0.56) CA1CA2CA7CTSKCTSS
SCHEMBL5481542 0.81 CA1 (0.56) CA1CA2CA7CTSKCTSS
SCHEMBL8291591 0.81 CA1 (0.56) CA1CA2CA7CTSKCTSS
SCHEMBL3614140 0.81 CA1 (0.51) CA1CA2CA7CTSKCTSS
SCHEMBL3880331 0.81 CA1 (0.51) CA1CA2CA7CTSKCTSS
SCHEMBL4182916 0.81 CA1 (0.51) CA1CA2CA7CTSKCTSS
SCHEMBL5460214 0.81 CA1 (0.51) CA1CA2CA7CTSKCTSS

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