SCHEMBL4632296

SCHEMBL4632296

CN(NC(=O)OC(C)(C)C)c1cc(Cl)cc(Cl)c1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
AKT1 P31749 3/20 0.36
IDO1 P14902 2/20 0.36
GAA P10253 2/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.35
HPGD P15428 1/20 0.35
ALOX12 P18054 1/20 0.35
NFKB1 P19838 2/20 0.33
NFKB2 Q00653 2/20 0.33
RELA Q04206 2/20 0.33
ATR Q13535 1/20 0.33
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
CTSS P25774 1/20 0.33

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
SCHEMBL4370713 0.83 FSCN1 (0.49) CA12CA1CA2CA9AKT1
SCHEMBL4368478 0.83 IDO1 (0.41) CA12CA1CA2CA9AKT1
SCHEMBL15135598 0.76 AKT1 (0.39) CA12CA1CA2CA9AKT1
SCHEMBL4364528 0.72 AKT1 (0.40) AKT1CTSLCTSBCTSS
SCHEMBL4376494 0.72 AKT1 (0.43) CA12CA1CA2CA9AKT1
SCHEMBL12060874 0.69 AKT1 (0.48) CA12CA1AKT1GAANFKB1
SCHEMBL4367426 0.69 HSPA5 (0.35) CA12CA1CA2CA9IDO1
SCHEMBL21949678 0.67 AKT1 (0.46) AKT1GAAALDH1A1ATRCTSL
SCHEMBL8571236 0.67 CA12 (0.43) CA12CA1CA2CA9NFKB1
SCHEMBL4364572 0.67 EGLN2 (0.42) AKT1CTSLCTSBCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1924563-B1 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1-INHIBITOR-DIABETES-TYPE 2-1 HOFFMANN LA ROCHE (CH) 2013-07-31 EP disclosed
EP-1924563-A1 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1-INHIBITOR-DIABETES-TYPE 2-1 F.HOFFMANN-LA ROCHE AG (CH) 2008-05-28 EP disclosed
WO-2007025892-A1 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1-INHIBITOR-DIABETES-TYPE 2-1 F. HOFFMANN-LA ROCHE AG (CH) 2007-03-08 WO disclosed