SCHEMBL7633199

SCHEMBL7633199

COc1ccc(C(O)c2ccccc2)cc1Br

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 1/20 0.54
TOP2B Q02880 1/20 0.54
ALDH1A1 P00352 2/20 0.51
GAA P10253 2/20 0.51
PKM P14618 2/20 0.51
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
HPGD P15428 1/20 0.50
CYP2C19 P33261 1/20 0.50
CNR2 P34972 1/20 0.50
MAPT P10636 2/20 0.44
OPRK1 P41145 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
TDP1 Q9NUW8 1/20 0.42
HTT P42858 2/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL17633584 0.85 TOP2A (0.47) TOP2ATOP2BALDH1A1GAAPKM
SCHEMBL477320 0.84 CNR2 (0.58) GAACYP1A2CYP2C19CNR2MAPT
SCHEMBL6948270 0.81 CNR2 (0.55) ALDH1A1GAAPKMHPGDCNR2
SCHEMBL13127055 0.80 CNR2 (0.57) ALDH1A1CYP2D6HPGDCNR2MAPT
SCHEMBL22867983 0.80 LMNA (0.51) GAACNR2MAPTL3MBTL1TDP1
SCHEMBL15192487 0.79 ALDH1A1 (0.50) TOP2ATOP2BALDH1A1GAAPKM
SCHEMBL22420293 0.77 CNR2 (0.54) ALDH1A1GAACYP1A2HPGDCYP2C19
SCHEMBL11863667 0.77 CNR2 (0.47) TOP2ATOP2BALDH1A1GAAPKM
SCHEMBL2782524 0.77 CNR2 (0.54) ALDH1A1GAACNR2MAPTL3MBTL1
SCHEMBL10358703 0.76 AKR1C3 (0.49) GAACNR2L3MBTL1TDP1HTT

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-1224195-A1 C-ARYL GLUCOSIDE SGLT2 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2002-07-24 EP disclosed
WO-2001027128-A1 C-ARYL GLUCOSIDE SGLT2 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2001-04-19 WO disclosed