SCHEMBL28043041

SCHEMBL28043041

CCOC(C)OCc1ccccc1OC(C)OCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.41
▸ IDO1 P14902 2/20 0.37
▸ ADRA2A P08913 2/20 0.35
▸ ADRA2B P18089 2/20 0.35
▸ ADRA2C P18825 2/20 0.35
▸ L3MBTL1 Q9Y468 4/20 0.35
▸ MAPT P10636 3/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ HTR1A P08908 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.33
▸ FFAR4 Q5NUL3 2/20 0.33
▸ ATM Q13315 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ BLM P54132 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ PLEC Q15149 1/20 0.33

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
SCHEMBL1067501 0.86 L3MBTL1 (0.49) LMNAADRA2AADRA2BADRA2CL3MBTL1
SCHEMBL9924430 0.84 LMNA (0.38) LMNAADRA2AADRA2BADRA2CL3MBTL1
SCHEMBL23906795 0.83 LMNA (0.48) LMNAADRA2AADRA2BADRA2CL3MBTL1
SCHEMBL10796901 0.83 ADRA2A (0.49) LMNAADRA2AADRA2BADRA2CL3MBTL1
SCHEMBL27701197 0.80 CA1 (0.50) LMNAADRA2AADRA2BADRA2CL3MBTL1
SCHEMBL27525281 0.78 THRA (0.48) ADRA2AADRA2BADRA2CHTR1ATHRB
SCHEMBL7535391 0.77 IDO1 (0.48) LMNAIDO1MAPTALDH1A1FFAR4
SCHEMBL7101261 0.77 LMNA (0.43) LMNAL3MBTL1
SCHEMBL13086759 0.77 CYP1A2 (0.41) LMNAADRA2BL3MBTL1ALDH1A1MEN1
SCHEMBL8218163 0.77 ADRA2A (0.48) LMNAADRA2AADRA2BADRA2CL3MBTL1

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
CN-105051048-A 1-hydroxy-benzoxaboroles as antiparasitic agents LILLY CO ELI 2015-11-11 — — CN disclosed
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