SCHEMBL11289727

SCHEMBL11289727

CC(C)OC(=O)C1(CCCCCCOc2ccc(Cl)cc2)CO1

nearest known ligand 0.73

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.73
LMNA P02545 1/20 0.73
MAPT P10636 1/20 0.73
MAPK1 P28482 1/20 0.73
CPT1A P50416 1/20 0.47
HRH3 Q9Y5N1 10/20 0.41
GAA P10253 1/20 0.40
USP2 O75604 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL15256797 1.00 ABCB11 (0.73) ABCB11LMNAMAPTMAPK1CPT1A
SCHEMBL15258345 0.86 ABCB11 (0.78) ABCB11LMNAMAPTMAPK1CPT1A
SCHEMBL11298608 0.86 ABCB11 (0.77) ABCB11LMNAMAPTMAPK1CPT1A
Rac-Etomoxir SCHEMBL681359 0.84 ABCB11 (1.00) ABCB11LMNAMAPTMAPK1CPT1A
SCHEMBL11272688 0.84 ABCB11 (0.52) ABCB11LMNAMAPTMAPK1GAA
Etomoxir SCHEMBL49075 0.84 ABCB11 (1.00) ABCB11LMNAMAPTMAPK1CPT1A
SCHEMBL954683 0.84 ABCB11 (1.00) ABCB11LMNAMAPTMAPK1CPT1A
Rac-Etomoxir SCHEMBL15256787 0.84 ABCB11 (1.00) ABCB11LMNAMAPTMAPK1CPT1A
Etomoxir SCHEMBL5883664 0.83 MAPT (0.98) ABCB11LMNAMAPTMAPK1CPT1A
Etomoxir SCHEMBL12813827 0.83 MAPT (0.98) ABCB11LMNAMAPTMAPK1CPT1A

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-4337267-A HYPOKETONEMIC, HYPOGLYCEMIC, ANTIDIABETIC BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1982-06-29 US disclosed