SCHEMBL13867702

SCHEMBL13867702

CC(C)(C)OC(=O)COC[C@H]1CCC[C@@H](CO)C1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.39
BTK Q06187 1/20 0.33
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
ALOX5AP P20292 1/20 0.30
FEN1 P39748 1/20 0.30

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
SCHEMBL13867703 1.00 NR1H2 (0.39) NR1H2BTKALDH1A1HPGDALOX5AP
SCHEMBL15194967 1.00 NR1H2 (0.39) NR1H2BTKALDH1A1HPGDALOX5AP
SCHEMBL13864820 0.88 BTK (0.33) NR1H2BTKALDH1A1HPGDALOX5AP
SCHEMBL13408415 0.88 NR1H2 (0.46) NR1H2
SCHEMBL20129230 0.88 LMNA (0.35) NR1H2BTKALDH1A1HPGDALOX5AP
SCHEMBL15194959 0.87 BTK (0.32) NR1H2BTKALOX5APFEN1
SCHEMBL14281492 0.86 BTK (0.31) BTK
SCHEMBL2375376 0.84 NR1H2 (0.43) NR1H2
SCHEMBL2375379 0.84 NR1H2 (0.43) NR1H2
SCHEMBL20335266 0.84 NR1H2 (0.43) NR1H2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7538131-B2 2-{-3-′2-(phenyl)-oxazol-4-ylmethoxymethyl-cyclohexylmethoxy}-propionic acid derivatives useful as peroxisome proliferator-activated receptor (PPAR) ligands for the treatment of hyperlipidemia and diabetes SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2009-05-26 US disclosed