SCHEMBL11259226

SCHEMBL11259226

CC(C)COC(=O)C1(CCCCCCCCc2ccc(Cl)cc2)CO1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.56
LMNA P02545 1/20 0.56
MAPT P10636 1/20 0.56
MAPK1 P28482 1/20 0.56
PPARA Q07869 2/20 0.38
NAAA Q02083 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
PPARG P37231 1/20 0.36
CACNA1F O60840 1/20 0.35
CACNA1D Q01668 1/20 0.35

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
SCHEMBL4731655 0.87 LMNA (0.72) ABCB11LMNAMAPTMAPK1PPARA
SCHEMBL11268901 0.87 LMNA (0.72) ABCB11LMNAMAPTMAPK1PPARA
SCHEMBL11266716 0.87 MAPT (0.47) ABCB11LMNAMAPTMAPK1NAAA
SCHEMBL11272688 0.86 ABCB11 (0.52) ABCB11LMNAMAPTMAPK1PPARA
SCHEMBL11298608 0.85 ABCB11 (0.77) ABCB11LMNAMAPTMAPK1GAA
SCHEMBL11268845 0.83 LMNA (0.61) ABCB11LMNAMAPTMAPK1PPARA
SCHEMBL11203314 0.82 ABCB11 (0.39) ABCB11LMNAMAPTMAPK1PPARA
SCHEMBL11264433 0.82 LMNA (0.68) ABCB11LMNAMAPTMAPK1GAA
SCHEMBL11269019 0.81 ABCB11 (0.48) ABCB11LMNAMAPTMAPK1PPARA
SCHEMBL11299997 0.81 LMNA (0.70) ABCB11LMNAMAPTMAPK1CACNA1C

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-4324796-A HYPOGLYCEMIC AGENTS, HYPOKETONEMIC AGENTS BYK GULDEN LOMBERG CHEMISCHE FABRIK GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1982-04-13 US disclosed