SCHEMBL1389098

SCHEMBL1389098

O=C(O)CCCCCCn1cccc1C(=O)Nc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.46
RCOR1 Q9UKL0 2/20 0.46
CNR2 P34972 3/20 0.46
CNR1 P21554 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.44
RAB9A P51151 2/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
SCN3A Q9NY46 1/20 0.44
PPARA Q07869 1/20 0.43
NPC1 O15118 1/20 0.43
PKM P14618 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
HDAC4 P56524 5/20 0.42
HDAC1 Q13547 5/20 0.42
HDAC7 Q8WUI4 5/20 0.42
HDAC11 Q96DB2 5/20 0.42
HDAC8 Q9BY41 5/20 0.42

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
SCHEMBL5512399 0.81 FABP4 (0.45) SMN1; SMN2MAPTNFKB1HDAC4HDAC1
SCHEMBL5512368 0.79 FABP4 (0.46) CNR2SMN1; SMN2MAPTHDAC4HDAC1
SCHEMBL28345767 0.75 FABP4 (0.45) SMN1; SMN2MAPTHDAC4HDAC1HDAC7
SCHEMBL23853379 0.73 CNR2 (0.39) CNR2SMN1; SMN2MAPTHPGDKDM4E
SCHEMBL8807589 0.73 RECQL (0.67) SMN1; SMN2RAB9AMAPTNPC1HDAC4
SCHEMBL7924316 0.72 CNR2 (0.62) CNR2CNR1
SCHEMBL23850522 0.71 MEN1 (0.45) CNR2SMN1; SMN2RAB9AMAPTNPC1
SCHEMBL312344 0.71 HDAC4 (0.77) MAPTHDAC4HDAC1HDAC7HDAC11
SCHEMBL1064861 0.71 HDAC4 (0.77) MAPTHDAC4HDAC1HDAC7HDAC11
SCHEMBL9852009 0.71 BRD4 (0.44) CNR2CNR1SMN1; SMN2RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-H11509230-A 1999-08-17 JP claimed
US-8974823-B2 Solid compositions of low-solubility drugs and poloxamers BEND RESEARCH, INC. (US) 2015-03-10 US disclosed
CN-101981005-A Atorvastatin-aliskiren LEK PHARMACEUTICALS 2011-02-23 CN disclosed
US-20080318218-A1 Compositions and Methods for Inferring an Adverse Effect in Response to a Drug Treatment DNAPRINT GENOMICS, INC. 2008-12-25 US disclosed
WO-2008089557-A1 ATORVASTATIN CALCIUM PROPYLENE GLYCOL SOLVATES APOTEX PHARMACHEM INC. (CA) 2008-07-31 WO disclosed
EP-1815023-A2 COMPOSITIONS AND METHODS FOR INFERRING AN ADVERSE EFFECT IN RESPONSE TO A DRUG TREATMENT DNAprint Genomics, Inc. (US) 2007-08-08 EP disclosed
US-20070141143-A1 Solid compositions of low-solubility drugs and poloxamers PFIZER PRODUCTS INC. 2007-06-21 US disclosed
WO-2006053322-A2 COMPOSITIONS AND METHODS FOR INFERRING AN ADVERSE EFFECT IN RESPONSE TO A DRUG TREATMENT DNAPRINT GENOMICS, INC. (US) 2006-05-18 WO disclosed
EP-1373202-B1 PREPARATION OF NON-CRYSTALLINE ATORVASTATIN CALCIUM LEK TOVARNA FARMACEVTSKIH (SI) 2005-04-27 EP disclosed
EP-1150665-A2 USE OF STATINS FOR TREATING VIRAL INFECTIONS Hollis-Eden Pharmaceuticals Inc. (US) 2001-11-07 EP disclosed
WO-2000047196-A2 USE OF STATINS FOR TREATING VIRAL INFECTIONS HOLLIS-EDEN PHARMACEUTICALS, INC. (US) 2000-08-17 WO disclosed