SCHEMBL8679115

SCHEMBL8679115

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

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC2 Q92769 1/20 0.51
NCOR2 Q9Y618 1/20 0.51
LIMK2 P53671 1/20 0.46
CTSL P07711 1/20 0.45
CTSB P07858 1/20 0.45
CTSS P25774 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MC4R P32245 5/20 0.44
MC3R P41968 5/20 0.44
MC5R P33032 4/20 0.44
AKT1 P31749 2/20 0.44

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
SCHEMBL1231760 0.92 HDAC3 (0.53) HDAC3HDAC1HDAC2NCOR2LIMK2
SCHEMBL8525848 0.89 HDAC3 (0.56) HDAC3HDAC1HDAC2NCOR2CTSL
SCHEMBL30940776 0.88 MC5R (0.46) HDAC3HDAC1HDAC2NCOR2L3MBTL1
SCHEMBL1848202 0.87 HDAC1 (0.52) HDAC3HDAC1HDAC2NCOR2CTSL
SCHEMBL8021840 0.87 HDAC3 (0.55) HDAC3HDAC1HDAC2NCOR2CTSL
SCHEMBL8331481 0.86 SSTR4 (0.42) HDAC3HDAC1HDAC2NCOR2MC4R
SCHEMBL12634667 0.86 HDAC3 (0.51) HDAC3HDAC1HDAC2NCOR2CTSL
SCHEMBL8089460 0.86 HDAC3 (0.51) HDAC3HDAC1HDAC2NCOR2CTSL
SCHEMBL5736847 0.86 HDAC3 (0.51) HDAC3HDAC1HDAC2NCOR2CTSL
SCHEMBL19615968 0.86 HDAC3 (0.51) HDAC3HDAC1HDAC2NCOR2CTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5808027-A ANTISENSE AGENTS ISIS PHARMACEUTICALS, INC. (US) 1998-09-15 US disclosed