SCHEMBL5705372

SCHEMBL5705372

CCCCCC(=O)CCCC(=O)CCCCC(c1nnn[nH]1)c1nnn[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
KMT2A Q03164 2/20 0.42
FFAR4 Q5NUL3 2/20 0.38
FFAR1 O14842 2/20 0.38
PLA2G2C Q5R387 1/20 0.36
HAO1 Q9UJM8 1/20 0.36
AKR1B1 P15121 1/20 0.35
GPR84 Q9NQS5 7/20 0.34
PPARG P37231 7/20 0.34
PPARD Q03181 7/20 0.34
PPARA Q07869 7/20 0.34
HDAC11 Q96DB2 5/20 0.34
TSHR P16473 4/20 0.34
PTPN1 P18031 3/20 0.34
ALDH1A1 P00352 2/20 0.34
TLR2 O60603 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
FABP4 P15090 2/20 0.34
SLC22A6 Q4U2R8 1/20 0.34
SLC22A8 Q8TCC7 1/20 0.34

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
SCHEMBL5705327 0.97 MAPT (0.42) MAPTKMT2AFFAR4FFAR1PLA2G2C
SCHEMBL7028592 0.93 MAPT (0.36) MAPTKMT2APLA2G2CHAO1
SCHEMBL7095910 0.90 MAPT (0.36) MAPTKMT2APLA2G2CHAO1
SCHEMBL16799873 0.84 MAPT (0.37) MAPTFFAR4FFAR1GPR84PPARD
SCHEMBL5705377 0.80
SCHEMBL7103052 0.80
SCHEMBL7095912 0.77
SCHEMBL6200317 0.75 FFAR4 (0.35) FFAR4FFAR1GPR84ALDH1A1
Acetic Acid SCHEMBL9277685 0.75 GPR84 (0.45) MAPTFFAR4FFAR1GPR84PPARD
SCHEMBL4941600 0.74 GPR84 (0.34) MAPTFFAR1GPR84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1701931-A1 KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES Esperion Therapeutics, Inc. (US) 2006-09-20 EP disclosed
WO-2005068412-A1 KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS, INC. (US) 2005-07-28 WO disclosed
EP-1326822-A2 KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES Esperion Therapeutics Inc. (US) 2003-07-16 EP disclosed
WO-2002030860-A9 KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS INC (US) 2003-02-20 WO disclosed
WO-2002030860-A2 KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS, INC. (US) 2002-04-18 WO disclosed