SCHEMBL7105680

SCHEMBL7105680

CCc1ccc(Cc2ccc(OC(C)=O)cc2OCc2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
MAPK1 P28482 1/20 0.47
RXRA P19793 2/20 0.46
RXRB P28702 2/20 0.46
MAOB P27338 2/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
PTPN1 P18031 1/20 0.43
ALDH1A1 P00352 3/20 0.43
HTT P42858 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 2/20 0.43
PKM P14618 1/20 0.43
ALOX5 P09917 1/20 0.42
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
GAA P10253 1/20 0.41
RAB9A P51151 1/20 0.41
PPARG P37231 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
SCHEMBL4287560 0.85 ALDH1A1 (0.54) MAPTRXRARXRBL3MBTL1ALDH1A1
SCHEMBL3999257 0.82 RXRA (0.56) MAPTRXRARXRBALDH1A1SMN1; SMN2
SCHEMBL4007795 0.82 SLC22A12 (0.51) RXRARXRBALDH1A1SMN1; SMN2GAA
SCHEMBL11844159 0.81 MAPK1 (0.46) MAPTMAPK1L3MBTL1GAARAB9A
SCHEMBL4003289 0.81 ELANE (0.43) MAPTMAPK1L3MBTL1HTTSMN1; SMN2
SCHEMBL3998721 0.81 HTT (0.44) RXRARXRBHTTRXRG
SCHEMBL4001117 0.81 LMNA (0.52) MAPTRXRARXRBL3MBTL1SMN1; SMN2
SCHEMBL6702501 0.80 PTPN1 (0.57) MAPTMAPK1MAOBL3MBTL1PTPN1
SCHEMBL6198744 0.80 ALDH1A1 (0.60) MAPTMAPK1MAOBPTPN1ALDH1A1
SCHEMBL1315571 0.79 KDM4E (0.68) MAPTMAPK1MAOBL3MBTL1PTPN1

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
EP-1344780-A1 GLUCOPYRANOSYLOXYBENZYL BENZENE DERIVATIVES, MEDICINAL COMPOSITIONS CONTAINING THE SAME AND INTERMEDIATES IN THE PRODUCTION THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2003-09-17 EP disclosed