SCHEMBL7576590

SCHEMBL7576590

C=CCOC(=O)C1COc2ccccc2O1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.59
TSHR P16473 1/20 0.59
HTT P42858 4/20 0.51
LMNA P02545 3/20 0.51
KDM4E B2RXH2 3/20 0.51
MAPT P10636 1/20 0.51
HSD17B10 Q99714 1/20 0.51
POLB P06746 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
ALDH1A1 P00352 2/20 0.49
HPGD P15428 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ATM Q13315 1/20 0.48
NISCH Q9Y2I1 1/20 0.48

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
SCHEMBL612174 0.81 TSHR (0.63) GAATSHRHTTLMNAKDM4E
SCHEMBL9747452 0.80 CYP4F2 (0.47) GAATSHRHSD17B10ALDH1A1HPGD
SCHEMBL3264123 0.80 CYP4F2 (0.47) GAATSHRHSD17B10ALDH1A1HPGD
SCHEMBL18166942 0.79 TSHR (0.38) GAATSHRHTTLMNAKDM4E
SCHEMBL4651767 0.79 RAB9A (0.71) GAATSHRHTTLMNAPOLB
SCHEMBL11566951 0.79 MAOB (0.43) KDM4EMAPTHSD17B10NPC1RAB9A
SCHEMBL8102249 0.78 GAA (0.67) GAATSHRHTTLMNAKDM4E
SCHEMBL7491132 0.75 NPC1 (0.62) GAATSHRHTTKDM4EMAPT
SCHEMBL30606873 0.75 NPC1 (0.62) GAATSHRHTTKDM4EMAPT
SCHEMBL30606872 0.75 NPC1 (0.62) GAATSHRHTTKDM4EMAPT

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0833937-B1 OPTICAL RESOLUTION OF ALKYL 1,4-BENZODIOXAN-2-CARBOXYLATES USING ESTERASE FROM SERRATIA MARCESCENS SEPRACOR INC (US) 2002-01-23 EP claimed
EP-0833937-A1 OPTICAL RESOLUTION OF ALKYL 1,4-BENZODIOXAN-2-CARBOXYLATES USING ESTERASE FROM SERRATIA MARCESCENS Seprachem, Inc. (US) 1998-04-08 EP claimed
WO-1996040976-A1 OPTICAL RESOLUTION OF ALKYL 1,4-BENZODIOXAN-2-CARBOXYLATES USING ESTERASE FROM SERRATIA MARCESCENS SEPRACHEM, INC. (US) 1996-12-19 WO claimed
US-5529929-A USING AQUEOUS SOLUTION OF MICROBIAL ESTERASE SEPRACHEM, INC. (US) 1996-06-25 US claimed
EP-0833937-B1 OPTICAL RESOLUTION OF ALKYL 1,4-BENZODIOXAN-2-CARBOXYLATES USING ESTERASE FROM SERRATIA MARCESCENS SEPRACOR INC (US) 2002-01-23 EP disclosed
EP-0833937-B1 OPTICAL RESOLUTION OF ALKYL 1,4-BENZODIOXAN-2-CARBOXYLATES USING ESTERASE FROM SERRATIA MARCESCENS SEPRACOR INC (US) 2002-01-23 EP disclosed
EP-0833937-B1 OPTICAL RESOLUTION OF ALKYL 1,4-BENZODIOXAN-2-CARBOXYLATES USING ESTERASE FROM SERRATIA MARCESCENS SEPRACOR INC (US) 2002-01-23 EP disclosed
EP-0833937-A1 OPTICAL RESOLUTION OF ALKYL 1,4-BENZODIOXAN-2-CARBOXYLATES USING ESTERASE FROM SERRATIA MARCESCENS Seprachem, Inc. (US) 1998-04-08 EP disclosed
EP-0833937-A1 OPTICAL RESOLUTION OF ALKYL 1,4-BENZODIOXAN-2-CARBOXYLATES USING ESTERASE FROM SERRATIA MARCESCENS Seprachem, Inc. (US) 1998-04-08 EP disclosed
EP-0833937-A1 OPTICAL RESOLUTION OF ALKYL 1,4-BENZODIOXAN-2-CARBOXYLATES USING ESTERASE FROM SERRATIA MARCESCENS Seprachem, Inc. (US) 1998-04-08 EP disclosed
WO-1996040976-A1 OPTICAL RESOLUTION OF ALKYL 1,4-BENZODIOXAN-2-CARBOXYLATES USING ESTERASE FROM SERRATIA MARCESCENS SEPRACHEM, INC. (US) 1996-12-19 WO disclosed
WO-1996040976-A1 OPTICAL RESOLUTION OF ALKYL 1,4-BENZODIOXAN-2-CARBOXYLATES USING ESTERASE FROM SERRATIA MARCESCENS SEPRACHEM, INC. (US) 1996-12-19 WO disclosed
WO-1996040976-A1 OPTICAL RESOLUTION OF ALKYL 1,4-BENZODIOXAN-2-CARBOXYLATES USING ESTERASE FROM SERRATIA MARCESCENS SEPRACHEM, INC. (US) 1996-12-19 WO disclosed
US-5529929-A USING AQUEOUS SOLUTION OF MICROBIAL ESTERASE SEPRACHEM, INC. (US) 1996-06-25 US disclosed
US-5529929-A USING AQUEOUS SOLUTION OF MICROBIAL ESTERASE SEPRACHEM, INC. (US) 1996-06-25 US disclosed
US-5529929-A USING AQUEOUS SOLUTION OF MICROBIAL ESTERASE SEPRACHEM, INC. (US) 1996-06-25 US disclosed