SCHEMBL4968823

SCHEMBL4968823

CCOc1ccc(C(=O)c2ccc(CC)cc2)c(Br)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.51
KDM4E B2RXH2 5/20 0.51
ALOX15 P16050 3/20 0.51
ALDH1A1 P00352 2/20 0.51
HPGD P15428 2/20 0.51
RECQL P46063 2/20 0.51
HSD17B10 Q99714 2/20 0.51
MAOB P27338 1/20 0.48
MAPK1 P28482 2/20 0.46
POLB P06746 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
LMNA P02545 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KMT2A Q03164 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44
PLK1 P53350 1/20 0.44

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
SCHEMBL1252259 0.89 NPC1 (0.55) MAPTALDH1A1HPGDMAPK1POLB
SCHEMBL4969219 0.85 MAPT (0.45) MAPTALDH1A1POLBHTTSMN1; SMN2
SCHEMBL2481951 0.84 HPGD (0.59) MAPTKDM4EALOX15ALDH1A1HPGD
SCHEMBL29428937 0.84 HPGD (0.59) MAPTKDM4EALOX15ALDH1A1HPGD
SCHEMBL10426863 0.83 MAPT (0.51) MAPTKDM4EALOX15ALDH1A1HPGD
SCHEMBL4965902 0.80 ADRB2 (0.46) MAPTALDH1A1MAOBLMNAHTT
SCHEMBL28491353 0.79 MAPT (0.53) MAPTKDM4EALOX15ALDH1A1HPGD
SCHEMBL29119728 0.79 MAPT (0.63) MAPTKDM4EALOX15ALDH1A1HPGD
SCHEMBL1252299 0.78 GAA (0.50) MAPTALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL31459933 0.78 KDM4E (0.54) MAPTKDM4EALOX15ALDH1A1HSD17B10

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
WO-2008101938-A1 GLUCOPYRANOSYL-SUBSTITUTED BENZYL-BENZONITRILE DERIVATIVES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR MANUFACTURE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-08-28 WO disclosed
WO-2008101938-A1 GLUCOPYRANOSYL-SUBSTITUTED BENZYL-BENZONITRILE DERIVATIVES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR MANUFACTURE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-08-28 WO disclosed