SCHEMBL5902913

SCHEMBL5902913

CC(C)(CCCO)CCCCCC(O)CCCCCC1(CCC(=O)O)CC1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.42
ACACA Q13085 1/20 0.42
FFAR1 O14842 3/20 0.39
FFAR4 Q5NUL3 2/20 0.39
PTPN1 P18031 1/20 0.37
CPT2 P23786 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
GPR84 Q9NQS5 5/20 0.33
TBXA2R P21731 1/20 0.32
PTGFR P43088 1/20 0.32
PTGER2 P43116 1/20 0.32
TBXAS1 P24557 1/20 0.32
FAAH O00519 1/20 0.32

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
SCHEMBL5902989 0.99 ACACB (0.40) ACACBACACAFFAR1FFAR4PTPN1
SCHEMBL5902654 0.93 ACACB (0.42) ACACBACACAFFAR1FFAR4PTPN1
SCHEMBL5902926 0.91 ACACB (0.40) ACACBACACAFFAR1FFAR4PTPN1
SCHEMBL5902720 0.91 ACACB (0.42) ACACBACACAFFAR1FFAR4CPT2
SCHEMBL12138734 0.90 FFAR1 (0.46) ACACBACACAFFAR1FFAR4CPT2
SCHEMBL5902394 0.88 ACACB (0.39) ACACBACACA
SCHEMBL17764130 0.87 PTPN1 (0.44) ACACBACACAFFAR1FFAR4PTPN1
SCHEMBL5902613 0.87 ACACB (0.37) ACACBACACA
SCHEMBL5902732 0.85 PTPN1 (0.42) FFAR1FFAR4PTPN1GPR84TBXA2R
SCHEMBL15964202 0.85 ACACB (0.38) ACACBACACAFFAR1FFAR4CPT2

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-2402300-B1 Hydroxyl compounds and compositions for cholesterol management and related uses ESPERION THERAPEUTICS INC (US) 2016-05-25 EP claimed
EP-2402300-B1 Hydroxyl compounds and compositions for cholesterol management and related uses ESPERION THERAPEUTICS INC (US) 2016-05-25 EP disclosed
US-7119221-B2 treating and preventing a variety of diseases and conditions such as aging, Alzheimer's Disease, cancer, cardiovascular disease, diabetic retinopathy, dyslipidemia, dyslipoproteinemia, hypertension, impotence, insulin resistance, peroxisome proliferator activated receptor associated disorders ESPERION THERAPEUTICS, INC. (US) 2006-10-10 US disclosed
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