SCHEMBL11293008

SCHEMBL11293008

CCCCOC(=O)C1(CCCCOCCc2ccc(Cl)cc2)CO1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.61
LMNA P02545 1/20 0.61
MAPT P10636 1/20 0.61
MAPK1 P28482 1/20 0.61
SPHK1 Q9NYA1 1/20 0.37
POLB P06746 3/20 0.37
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
ALDH1A1 P00352 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PPARA Q07869 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
S1PR1 P21453 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
TP53 P04637 1/20 0.35
PPARG P37231 1/20 0.34
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.34

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
SCHEMBL11296901 0.94 LMNA (0.61) ABCB11LMNAMAPTMAPK1SPHK1
SCHEMBL11261223 0.89 ABCB11 (0.59) ABCB11LMNAMAPTMAPK1POLB
SCHEMBL11296299 0.88 MAPK1 (0.51) ABCB11LMNAMAPTMAPK1SPHK1
SCHEMBL11289986 0.88 MAPT (0.65) ABCB11LMNAMAPTMAPK1POLB
SCHEMBL11299997 0.87 LMNA (0.70) ABCB11LMNAMAPTMAPK1SPHK1
SCHEMBL11296975 0.86 LMNA (0.54) ABCB11LMNAMAPTMAPK1SPHK1
SCHEMBL11296871 0.85 ABCB11 (0.56) ABCB11LMNAMAPTMAPK1SPHK1
SCHEMBL11268845 0.85 LMNA (0.61) ABCB11LMNAMAPTMAPK1POLB
SCHEMBL11297005 0.84 LMNA (0.67) ABCB11LMNAMAPTMAPK1SPHK1
SCHEMBL11294309 0.81 LMNA (0.82) ABCB11LMNAMAPTMAPK1ALDH1A1

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