SCHEMBL7982391

SCHEMBL7982391

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

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
REN P00797 2/20 0.53
HDAC1 Q13547 3/20 0.53
HDAC3 O15379 2/20 0.53
HDAC2 Q92769 2/20 0.53
NCOR2 Q9Y618 2/20 0.53
CCR6 P51684 1/20 0.46
PAX8 Q06710 1/20 0.46
L3MBTL1 Q9Y468 4/20 0.45
CTSL P07711 1/20 0.45
CTSB P07858 1/20 0.45
CTSS P25774 1/20 0.45
CA14 Q9ULX7 1/20 0.43
AKT1 P31749 2/20 0.41
HDAC6 Q9UBN7 1/20 0.41

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
SCHEMBL7982368 0.98 REN (0.53) RENHDAC1HDAC3HDAC2NCOR2
SCHEMBL7986481 0.98 REN (0.53) RENHDAC1HDAC3HDAC2NCOR2
SCHEMBL7983610 0.98 REN (0.53) RENHDAC1HDAC3HDAC2NCOR2
SCHEMBL7982499 0.98 REN (0.53) RENHDAC1HDAC3HDAC2NCOR2
SCHEMBL7972070 0.98 REN (0.53) RENHDAC1HDAC3HDAC2NCOR2
SCHEMBL7972013 0.96 REN (0.54) RENHDAC1HDAC3HDAC2NCOR2
SCHEMBL7986648 0.96 REN (0.54) RENHDAC1HDAC3HDAC2NCOR2
SCHEMBL7983340 0.90 HDAC1 (0.53) RENHDAC1HDAC3HDAC2NCOR2
SCHEMBL7973240 0.90 HDAC1 (0.53) RENHDAC1HDAC3HDAC2NCOR2
SCHEMBL7202274 0.89 CCR6 (0.56) RENHDAC1HDAC3HDAC2NCOR2

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