SCHEMBL6624013

SCHEMBL6624013

CC(C)(C)OC(=O)N(O)Cc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.57
AKT1 P31749 3/20 0.51
HDAC3 O15379 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC2 Q92769 1/20 0.49
NCOR2 Q9Y618 1/20 0.49
ALOX5 P09917 4/20 0.48
PTGS1 P23219 1/20 0.48
PTGS2 P35354 1/20 0.48
CTSL P07711 2/20 0.46
CTSB P07858 2/20 0.46
CTSS P25774 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
MEN1 O00255 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
CA12 O43570 1/20 0.43
CA9 Q16790 1/20 0.43

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
SCHEMBL24736794 0.85 AKT1 (0.54) RIPK1AKT1HDAC3HDAC1HDAC2
SCHEMBL3819098 0.84 AKT1 (0.52) RIPK1AKT1HDAC3HDAC1HDAC2
SCHEMBL1520414 0.83 ALOX5 (0.51) RIPK1AKT1ALOX5CTSSL3MBTL1
SCHEMBL4213404 0.83 RIPK1 (0.40) RIPK1AKT1HDAC3HDAC1HDAC2
SCHEMBL7190668 0.83 RIPK1 (0.57) RIPK1AKT1HDAC3HDAC1HDAC2
SCHEMBL3353841 0.81 AKT1 (0.54) RIPK1AKT1HDAC3HDAC1HDAC2
SCHEMBL2061999 0.81 AKT1 (0.50) RIPK1AKT1HDAC3HDAC1HDAC2
SCHEMBL27499765 0.81 ALOX5 (0.56) ALOX5L3MBTL1MEN1KMT2A
SCHEMBL20341352 0.80 AKT1 (0.49) RIPK1AKT1HDAC3HDAC1HDAC2
SCHEMBL23288368 0.80 LMNA (0.60) RIPK1AKT1HDAC3HDAC1HDAC2

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-0986384-A4 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIV PITTSBURGH (US) 2004-09-15 EP disclosed
EP-0986384-A1 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIVERSITY OF PITTSBURGH (US) 2000-03-22 EP disclosed
WO-1998050029-A1 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIVERSITY OF PITTSBURGH (US) 1998-11-12 WO disclosed