SCHEMBL12474262

SCHEMBL12474262

O=C(O)C[C@@H]1OCc2cc(O)ccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.46
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
APEX1 P27695 1/20 0.38
ESR1 P03372 6/20 0.37
ESR2 Q92731 6/20 0.37
ATM Q13315 1/20 0.36
MIF P14174 1/20 0.35
AKR1B1 P15121 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
HTR2A P28223 1/20 0.34
STS P08842 1/20 0.34
LMNA P02545 1/20 0.33
MAPT P10636 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
SCHEMBL5092292 0.86 FFAR1 (0.43) FFAR1ADRA2AADRA2BADRA2CADRA1D
SCHEMBL8550598 0.85 GAA (0.43) ESR1ESR2AKR1B1SMN1; SMN2KDM4E
SCHEMBL14567148 0.83 FFAR1 (0.47) FFAR1ADRA2AADRA2BADRA2CADRA1D
SCHEMBL27984588 0.82 MIF (0.40) FFAR1ADRA2AADRA2BADRA2CADRA1D
Methylamine SCHEMBL27431581 0.80 FFAR1 (0.39) FFAR1ADRA2AADRA2BADRA2CADRA1D
SCHEMBL6810997 0.80 PPARA (0.43) FFAR1ADRA2AADRA2BADRA2CADRA1D
SCHEMBL10923834 0.79 ADRA2A (0.65) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL7405122 0.79 GAA (0.45) FFAR1APEX1SMN1; SMN2KDM4EHPGD
SCHEMBL3021109 0.70 FFAR1 (0.62) FFAR1ESR1ESR2
SCHEMBL3948386 0.70 FFAR1 (0.62) FFAR1ESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2675774-A1 PRODUCTION METHOD OF OPTICALLY ACTIVE DIHYDROBENZOFURAN DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2013-12-25 EP disclosed
WO-2012111849-A1 PRODUCTION METHOD OF OPTICALLY ACTIVE DIHYDROBENZOFURAN DERIVATIVE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-08-23 WO disclosed