SCHEMBL6207356

SCHEMBL6207356

CCC(C)OC(=O)C(CCCCC(C)(C)CO)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.33
FAAH O00519 1/20 0.33
FFAR1 O14842 1/20 0.32
CPT2 P23786 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ACACB O00763 1/20 0.31
ACACA Q13085 1/20 0.31
CA2 P00918 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL5849651 0.79 FAAH (0.51) MAPTFAAHFFAR1
SCHEMBL6910766 0.78 CA2 (0.47) MAPTFAAHFFAR1TDP1CA2
SCHEMBL5855960 0.77 MAPT (0.34) MAPTFAAHCA2
SCHEMBL6848288 0.77 MAPT (0.34) MAPTFAAHCA2
SCHEMBL1702873 0.76 FAAH (0.42) MAPTFAAHFFAR1
SCHEMBL1703441 0.76 FAAH (0.42) MAPTFAAHFFAR1
SCHEMBL6080210 0.76 FAAH (0.39) MAPTFAAHFFAR1TDP1
SCHEMBL4089567 0.76 FAAH (0.42) MAPTFAAHFFAR1
SCHEMBL186371 0.75 FFAR1 (0.33) FFAR1CPT2TDP1
SCHEMBL2224240 0.75 MAPT (0.37) MAPTFAAHTDP1CA2MAPK1

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-1564200-A1 Ketone compounds and compositions for cholesterol management and related uses Esperion Therapeutics Inc. (US) 2005-08-17 EP disclosed
WO-2002030860-A9 KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS INC (US) 2003-02-20 WO disclosed