SCHEMBL8199047

SCHEMBL8199047

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC2 Q92769 1/20 0.49
NCOR2 Q9Y618 1/20 0.49
AKT1 P31749 3/20 0.48
TP53 P04637 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
MEN1 O00255 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
CTSL P07711 2/20 0.43
CTSB P07858 2/20 0.43
CTSS P25774 2/20 0.43
LMNA P02545 2/20 0.43
ALDH1A1 P00352 2/20 0.43
POLB P06746 1/20 0.43
HSD17B10 Q99714 1/20 0.43
RIPK1 Q13546 2/20 0.42

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
SCHEMBL22931837 0.89 KMT2A (0.58) HDAC3HDAC1HDAC2NCOR2AKT1
SCHEMBL3819098 0.86 AKT1 (0.52) HDAC3HDAC1HDAC2NCOR2AKT1
SCHEMBL22361797 0.85 AKT1 (0.50) HDAC3HDAC1HDAC2NCOR2AKT1
SCHEMBL6378857 0.85 AKT1 (0.45) HDAC3HDAC1HDAC2NCOR2AKT1
SCHEMBL20341352 0.82 AKT1 (0.49) HDAC3HDAC1HDAC2NCOR2AKT1
SCHEMBL357503 0.79 AKT1 (0.47) HDAC3HDAC1HDAC2NCOR2AKT1
SCHEMBL9060170 0.77 HDAC1 (0.60) HDAC3HDAC1HDAC2NCOR2AKT1
SCHEMBL23288368 0.76 LMNA (0.60) HDAC3HDAC1HDAC2NCOR2AKT1
SCHEMBL10425083 0.76 CTSK (0.44) HDAC3HDAC1HDAC2NCOR2AKT1
SCHEMBL1353124 0.75 HDAC1 (0.50) HDAC3HDAC1HDAC2NCOR2AKT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0970075-A1 PYRIMIDINONE-1,3-OXATHIOLANE DERIVATIVES WITH ANTIVIRAL ACTIVITY ZAMBON GROUP S.p.A. (IT) 2000-01-12 EP disclosed
WO-1998043972-A1 PYRIMIDINONE-1,3-OXATHIOLANE DERIVATIVES WITH ANTIVIRAL ACTIVITY ZAMBON GROUP S.P.A. (IT) 1998-10-08 WO disclosed