SCHEMBL11298722

SCHEMBL11298722

CCOC(=O)C1(CCOc2cccc(C(F)(F)F)c2)CO1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.51
ABCB11 O95342 1/20 0.51
MAPT P10636 1/20 0.51
MAPK1 P28482 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.49
KDM4E B2RXH2 5/20 0.47
ALDH1A1 P00352 3/20 0.47
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
GAA P10253 2/20 0.43
MAOB P27338 1/20 0.43
HTT P42858 2/20 0.43
FAAH O00519 1/20 0.43
PTGES O14684 1/20 0.42
ALOX5 P09917 1/20 0.42
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
MCL1 Q07820 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
SCHEMBL956571 0.94 LMNA (0.60) LMNAABCB11MAPTMAPK1L3MBTL1
SCHEMBL11290353 0.86 FAAH (0.50) LMNAABCB11MAPTMAPK1L3MBTL1
SCHEMBL11289835 0.84 LMNA (0.54) LMNAABCB11MAPTMAPK1L3MBTL1
SCHEMBL11020225 0.83 L3MBTL1 (0.47) LMNAMAPTL3MBTL1KDM4EALDH1A1
SCHEMBL11290182 0.82 KDM4E (0.48) LMNAABCB11MAPTMAPK1L3MBTL1
SCHEMBL11292129 0.82 LMNA (0.64) LMNAABCB11MAPTMAPK1KDM4E
SCHEMBL11266840 0.82 THRB (0.47) LMNAABCB11MAPTMAPK1L3MBTL1
SCHEMBL11295569 0.81 KDM4E (0.47) LMNAABCB11MAPTMAPK1L3MBTL1
SCHEMBL11261814 0.80 MAPT (0.46) LMNAABCB11MAPTMAPK1KDM4E
SCHEMBL11289517 0.80 MAPK1 (0.58) LMNAABCB11MAPTMAPK1L3MBTL1

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