SCHEMBL6958286

SCHEMBL6958286

CC(=O)c1ccc(OCC2CCCCC2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 6/20 0.72
PARP15 Q460N3 5/20 0.72
PARP2 Q9UGN5 2/20 0.65
L3MBTL1 Q9Y468 1/20 0.54
FFAR1 O14842 1/20 0.53
GAA P10253 1/20 0.53
MAPT P10636 2/20 0.50
LMNA P02545 1/20 0.50
POLB P06746 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
ALDH1A1 P00352 1/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
CCNB2 O95067 1/20 0.48
CDK1 P06493 1/20 0.48
CCNB1 P14635 1/20 0.48
CCNA2 P20248 1/20 0.48
CDK2 P24941 1/20 0.48

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
SCHEMBL4117982 0.98 PARP10 (0.71) PARP10PARP15PARP2L3MBTL1FFAR1
SCHEMBL7737448 0.94 PARP10 (0.66) PARP10PARP15PARP2L3MBTL1FFAR1
SCHEMBL2087536 0.92 PARP15 (0.70) PARP10PARP15PARP2L3MBTL1GAA
SCHEMBL7733823 0.91 PARP15 (0.66) PARP10PARP15PARP2L3MBTL1FFAR1
SCHEMBL1532841 0.85 PARP10 (0.74) PARP10PARP15PARP2FFAR1LMNA
SCHEMBL12420700 0.85 PARP10 (0.74) PARP10PARP15PARP2FFAR1LMNA
SCHEMBL1532862 0.85 PARP10 (0.74) PARP10PARP15PARP2FFAR1LMNA
SCHEMBL7311285 0.84 PARP10 (0.68) PARP10PARP15PARP2FFAR1MAPT
SCHEMBL11893183 0.84 NFE2L2 (0.60) PARP10PARP15L3MBTL1GAAMAPT
SCHEMBL17150475 0.84 PARP15 (0.56) PARP10PARP15PARP2L3MBTL1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6576766-B1 Competitive binding of phosphotyrosine-containing protein; veterinary medicine ARIAD PHARMACEUTICALS, INC. 2003-06-10 US disclosed
EP-0729465-B1 PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE DAVIS & CO (US) 2003-01-22 EP disclosed
EP-1030853-A1 NOVEL SIGNAL TRANSDUCTION INHIBITORS, COMPOSITIONS CONTAINING THEM ARIAD PHARMACEUTICALS, INC. (US) 2000-08-30 EP disclosed
US-6005103-A TREATMENT OF BACTERIAL AND VIRAL INFECTIONS AND DISEASES, INCLUDING AIDS WARNER-LAMBERT COMPANY (US) 1999-12-21 US disclosed
WO-1999024442-A1 NOVEL SIGNAL TRANSDUCTION INHIBITORS, COMPOSITIONS CONTAINING THEM ARIAD PHARMACEUTICALS, INC. (US) 1999-05-20 WO disclosed
US-5808062-A AIDS THERAPY WARNER-LAMBERT COMPANY (US) 1998-09-15 US disclosed
EP-0729465-A1 PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1996-09-04 EP disclosed
EP-0729466-A1 PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1996-09-04 EP disclosed
WO-1995014013-A1 PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1995-05-26 WO disclosed
WO-1995014014-A2 PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1995-05-26 WO disclosed
US-4474809-A HYPOGLYCEMIC AGENTS, ANTIDIABETIC AGENTS AMERICAN CYANAMID COMPANY (US) 1984-10-02 US disclosed
EP-0114389-A2 Substituted arylglyoxal derivatives AMERICAN CYANAMID COMPANY (US) 1984-08-01 EP disclosed