SCHEMBL8525848

SCHEMBL8525848

CC(C)(C)OC(=O)N(CCCCCCCCN(CCCCN(Cc1ccccc1)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)CCCCN(Cc1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.56
HDAC1 Q13547 1/20 0.56
HDAC2 Q92769 1/20 0.56
NCOR2 Q9Y618 1/20 0.56
L3MBTL1 Q9Y468 4/20 0.53
CTSL P07711 1/20 0.47
CTSB P07858 1/20 0.47
CTSS P25774 1/20 0.47
AKT1 P31749 2/20 0.46
CA14 Q9ULX7 1/20 0.46
CNR2 P34972 1/20 0.45
LMNA P02545 1/20 0.44
RECQL P46063 1/20 0.43
REN P00797 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
SCHEMBL8021840 0.99 HDAC3 (0.55) HDAC3HDAC1HDAC2NCOR2L3MBTL1
SCHEMBL7983340 0.93 HDAC1 (0.53) HDAC3HDAC1HDAC2NCOR2L3MBTL1
SCHEMBL7973240 0.93 HDAC1 (0.53) HDAC3HDAC1HDAC2NCOR2L3MBTL1
SCHEMBL6378615 0.92 HDAC1 (0.52) HDAC3HDAC1HDAC2NCOR2L3MBTL1
SCHEMBL5737640 0.92 HDAC1 (0.54) HDAC3HDAC1HDAC2NCOR2L3MBTL1
SCHEMBL5738539 0.90 HDAC3 (0.53) HDAC3HDAC1HDAC2NCOR2L3MBTL1
SCHEMBL13617413 0.90 HDAC3 (0.53) HDAC3HDAC1HDAC2NCOR2L3MBTL1
SCHEMBL6379732 0.90 HDAC1 (0.53) HDAC3HDAC1HDAC2NCOR2L3MBTL1
SCHEMBL1848202 0.90 HDAC1 (0.52) HDAC3HDAC1HDAC2NCOR2L3MBTL1
SCHEMBL7203904 0.90 BCHE (0.55) 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
EP-0686142-B1 POLYAMINE DERIVATIVES AS RADIOPROTECTIVE AGENTS MERRELL PHARMA INC (US) 1998-12-30 EP disclosed
EP-0399519-B1 Potentiating cell-mediated immunity utilizing polyamine derivatives MERRELL PHARMA INC (US) 1996-08-07 EP disclosed
EP-0277635-B1 Novel polyamine derivatives MERRELL DOW PHARMA (US) 1994-01-05 EP disclosed