SCHEMBL2737155

SCHEMBL2737155

CCC1(CCCCCC(O)CCCCCC2(CC(=O)O)CC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.44
FFAR1 O14842 1/20 0.44
GPR84 Q9NQS5 5/20 0.41
FAAH O00519 2/20 0.37
ACACB O00763 1/20 0.37
ACACA Q13085 1/20 0.37
PTGER2 P43116 3/20 0.35
TBXA2R P21731 1/20 0.35
PTGFR P43088 1/20 0.35
EPHX2 P34913 1/20 0.34
PTGER4 P35408 2/20 0.33
PTGER3 P43115 2/20 0.33

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
SCHEMBL2737156 0.98 FFAR4 (0.41) FFAR4FFAR1GPR84FAAHACACB
SCHEMBL12138679 0.94 FFAR4 (0.39) FFAR4FFAR1GPR84FAAHACACB
SCHEMBL1146781 0.92 FFAR4 (0.42) FFAR4FFAR1GPR84FAAHACACB
SCHEMBL1146226 0.90 FFAR4 (0.39) FFAR4FFAR1GPR84FAAHACACB
SCHEMBL14704335 0.86 FFAR4 (0.39) FFAR4FFAR1GPR84FAAHACACB
SCHEMBL1146831 0.85 CYP1A2 (0.38) FFAR4FFAR1GPR84ACACBACACA
SCHEMBL15417560 0.84 FFAR4 (0.37) FFAR4FFAR1GPR84FAAHACACB
SCHEMBL5903005 0.84 PTPN1 (0.38) FFAR4FFAR1GPR84FAAHACACB
SCHEMBL14150077 0.84 ACACB (0.47) FFAR4FFAR1GPR84FAAHACACB
SCHEMBL1146690 0.84 FFAR4 (0.37) FFAR4FFAR1GPR84FAAHACACB

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-2402300-A1 Hydroxyl compounds and compositions for cholesterol management and related uses Esperion Therapeutics Inc. (US) 2012-01-04 EP disclosed
US-8067466-B2 Cycloalkyl-hydroxyl compounds and compositions for cholesterol management ESPERION THERAPEUTICS, INC. (US) 2011-11-29 US disclosed