SCHEMBL7002386

SCHEMBL7002386

CC(C)(C)CCCC(=O)CCCC(=O)CCCC(C)(C)C(c1cc(=O)c(O)co1)c1cc(=O)c(O)co1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TYR P14679 7/20 0.35
DAO P14920 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ELANE P08246 2/20 0.34
IDH1 O75874 1/20 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
SCHEMBL7028262 0.93 TYR (0.35) TYRDAOKDM4EELANEIDH1
SCHEMBL7007961 0.84 ELANE (0.35) TYRDAOKDM4EELANE
SCHEMBL7028265 0.80 ELANE (0.36) TYRDAOKDM4EELANE
SCHEMBL7106137 0.76 TYR (0.38) TYRDAOKDM4EELANE
SCHEMBL7003137 0.75
SCHEMBL8743192 0.75 TYR (0.39) TYRDAOKDM4EELANE
SCHEMBL5705468 0.74
SCHEMBL10257210 0.74 TYR (0.40) TYRDAOKDM4EELANE
SCHEMBL3280527 0.73 TYR (0.47) TYRDAOKDM4EELANE
SCHEMBL5705333 0.72

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