SCHEMBL6181564

SCHEMBL6181564

CCCCCC(=O)CCCCC(C1(C(=O)O)CCCC1)C1(C(=O)O)CCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
MAPT P10636 1/20 0.46
FFAR4 Q5NUL3 2/20 0.41
FFAR1 O14842 2/20 0.41
MEN1 O00255 2/20 0.39
FAAH O00519 2/20 0.39
MAPK1 P28482 1/20 0.39
HAO1 Q9UJM8 1/20 0.39
AKR1B1 P15121 1/20 0.38
GPR84 Q9NQS5 7/20 0.37
PPARG P37231 7/20 0.37
PPARD Q03181 7/20 0.37
PPARA Q07869 7/20 0.37
HDAC11 Q96DB2 5/20 0.37
TSHR P16473 4/20 0.37
PTPN1 P18031 3/20 0.37
ALDH1A1 P00352 2/20 0.37
TLR2 O60603 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
FABP4 P15090 2/20 0.37

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
SCHEMBL5705612 0.93 KMT2A (0.48) KMT2AMAPTFFAR4FFAR1MEN1
SCHEMBL6216939 0.85 FFAR1 (0.50) FFAR4FFAR1FAAHGPR84
SCHEMBL6179030 0.78 FFAR1 (0.53) MAPTFFAR4FFAR1FAAHGPR84
SCHEMBL23094032 0.75 GPR84 (0.38) MAPTFFAR4FFAR1MAPK1GPR84
SCHEMBL20341607 0.75 GPR84 (0.44) MAPTFFAR4FFAR1GPR84PPARD
SCHEMBL3472515 0.74 GPR84 (0.41) MAPTFFAR4FFAR1GPR84PPARD
SCHEMBL5739513 0.72 GPR84 (0.35) KMT2AMAPTFFAR4FFAR1MEN1
SCHEMBL10768998 0.72 CYP2C19 (0.36) TSHRALDH1A1
SCHEMBL13875771 0.71 CA2 (0.37) KMT2AFFAR4FFAR1MEN1MAPK1
SCHEMBL7438181 0.71 CA2 (0.37) KMT2AFFAR4FFAR1MEN1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1597223-A2 HYDROXYL COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES Esperion Therapeutics Inc. (US) 2005-11-23 EP disclosed
WO-2004067489-A2 HYDROXYL COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS, INC. (US) 2004-08-12 WO disclosed