SCHEMBL7983451

SCHEMBL7983451

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

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.51
HDAC1 Q13547 2/20 0.51
HDAC2 Q92769 2/20 0.51
NCOR2 Q9Y618 2/20 0.51
L3MBTL1 Q9Y468 4/20 0.46
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
CTSS P25774 1/20 0.43
REN P00797 1/20 0.42
AKT1 P31749 2/20 0.41
RECQL P46063 1/20 0.39
BACE1 P56817 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL5736687 0.96 HDAC3 (0.49) HDAC3HDAC1HDAC2NCOR2L3MBTL1
SCHEMBL2794680 0.91 HDAC3 (0.51) HDAC3HDAC1HDAC2NCOR2L3MBTL1
SCHEMBL8525848 0.88 HDAC3 (0.56) HDAC3HDAC1HDAC2NCOR2L3MBTL1
SCHEMBL8021840 0.87 HDAC3 (0.55) HDAC3HDAC1HDAC2NCOR2L3MBTL1
SCHEMBL5737640 0.85 HDAC1 (0.54) HDAC3HDAC1HDAC2NCOR2L3MBTL1
SCHEMBL24293612 0.85 L3MBTL1 (0.48) HDAC3HDAC1HDAC2NCOR2L3MBTL1
SCHEMBL18026772 0.84 HDAC1 (0.47) HDAC3HDAC1HDAC2NCOR2L3MBTL1
SCHEMBL5738539 0.84 HDAC3 (0.53) HDAC3HDAC1HDAC2NCOR2L3MBTL1
SCHEMBL13617413 0.84 HDAC3 (0.53) HDAC3HDAC1HDAC2NCOR2L3MBTL1
SCHEMBL6379732 0.84 HDAC1 (0.53) HDAC3HDAC1HDAC2NCOR2L3MBTL1

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
US-6214833-B1 MADE BY ACYLATION ZAMBON GROUP S.P.A. (IT) 2001-04-10 US disclosed
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