SCHEMBL11298734

SCHEMBL11298734

CC(C)COC(=O)C1(CCCCCOc2cccc(Cl)c2)CO1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.59
LMNA P02545 1/20 0.59
MAPT P10636 1/20 0.59
MAPK1 P28482 1/20 0.59
HRH3 Q9Y5N1 12/20 0.44
KDM4E B2RXH2 2/20 0.43
PPARG P37231 1/20 0.42
PPARD Q03181 1/20 0.42
HTT P42858 1/20 0.41

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
SCHEMBL11296404 0.87 ABCB11 (0.64) ABCB11LMNAMAPTMAPK1HRH3
SCHEMBL957645 0.87 ABCB11 (0.73) ABCB11LMNAMAPTMAPK1HRH3
SCHEMBL11298608 0.87 ABCB11 (0.77) ABCB11LMNAMAPTMAPK1HRH3
SCHEMBL11266716 0.84 MAPT (0.47) ABCB11LMNAMAPTMAPK1HTT
SCHEMBL7423195 0.84 HRH3 (0.42) ABCB11LMNAMAPTMAPK1HRH3
SCHEMBL6260288 0.81 KDM4E (0.51) ABCB11LMNAMAPTMAPK1HRH3
SCHEMBL11297445 0.80 HRH3 (0.50) ABCB11LMNAMAPTMAPK1HRH3
SCHEMBL7431046 0.79 ABCB11 (0.49) ABCB11LMNAMAPTMAPK1HRH3
SCHEMBL11022024 0.79 ABCB11 (0.49) ABCB11LMNAMAPTMAPK1HRH3
SCHEMBL11259226 0.77 ABCB11 (0.56) ABCB11LMNAMAPTMAPK1PPARG

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