SCHEMBL11292589

SCHEMBL11292589

CCCCOC(=O)C1(CCCCCCOc2ccc(Cl)c(Cl)c2)CO1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.65
ABCB11 O95342 1/20 0.65
MAPT P10636 1/20 0.65
MAPK1 P28482 1/20 0.65
THRB P10828 5/20 0.43
THRA P10827 1/20 0.43
ALDH1A1 P00352 4/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 4/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PLA2G4B P0C869 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
SCHEMBL960224 0.92 LMNA (0.77) LMNAABCB11MAPTMAPK1ALDH1A1
SCHEMBL11290405 0.92 LMNA (0.77) LMNAABCB11MAPTMAPK1ALDH1A1
SCHEMBL11295543 0.91 LMNA (0.75) LMNAABCB11MAPTMAPK1ALDH1A1
SCHEMBL11271824 0.86 ABCB11 (0.53) LMNAABCB11MAPTMAPK1ALDH1A1
SCHEMBL6259707 0.83 LMNA (0.54) LMNAABCB11MAPTMAPK1ALDH1A1
SCHEMBL11294309 0.81 LMNA (0.82) LMNAABCB11MAPTMAPK1ALDH1A1
SCHEMBL11296404 0.81 ABCB11 (0.64) LMNAABCB11MAPTMAPK1KDM4E
SCHEMBL11289520 0.80 LMNA (0.72) LMNAABCB11MAPTMAPK1ALDH1A1
SCHEMBL11289835 0.80 LMNA (0.54) LMNAABCB11MAPTMAPK1ALDH1A1
Etomoxir SCHEMBL49075 0.79 ABCB11 (1.00) LMNAABCB11MAPTMAPK1ALDH1A1

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