SCHEMBL7983340

SCHEMBL7983340

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

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.53
HDAC3 O15379 2/20 0.53
HDAC2 Q92769 2/20 0.53
NCOR2 Q9Y618 1/20 0.53
L3MBTL1 Q9Y468 4/20 0.50
CTSL P07711 2/20 0.47
CTSB P07858 2/20 0.47
CTSS P25774 2/20 0.47
REN P00797 1/20 0.44
HDAC6 Q9UBN7 2/20 0.44
HDAC4 P56524 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
AKT1 P31749 2/20 0.43
CA14 Q9ULX7 1/20 0.43
SSTR4 P31391 1/20 0.43
CNR2 P34972 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
SCHEMBL7973240 1.00 HDAC1 (0.53) HDAC1HDAC3HDAC2NCOR2L3MBTL1
SCHEMBL5737640 0.99 HDAC1 (0.54) HDAC1HDAC3HDAC2NCOR2L3MBTL1
SCHEMBL1848202 0.94 HDAC1 (0.52) HDAC1HDAC3HDAC2NCOR2L3MBTL1
SCHEMBL8525848 0.93 HDAC3 (0.56) HDAC1HDAC3HDAC2NCOR2L3MBTL1
SCHEMBL7982499 0.93 REN (0.53) HDAC1HDAC3HDAC2NCOR2L3MBTL1
SCHEMBL7983610 0.93 REN (0.53) HDAC1HDAC3HDAC2NCOR2L3MBTL1
SCHEMBL7986481 0.93 REN (0.53) HDAC1HDAC3HDAC2NCOR2L3MBTL1
SCHEMBL7972070 0.93 REN (0.53) HDAC1HDAC3HDAC2NCOR2L3MBTL1
SCHEMBL7982368 0.93 REN (0.53) HDAC1HDAC3HDAC2NCOR2L3MBTL1
SCHEMBL8021840 0.92 HDAC3 (0.55) HDAC1HDAC3HDAC2NCOR2L3MBTL1

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