SCHEMBL8104414

SCHEMBL8104414

Bc1ccc2c(c1)CC(C)(C)O2

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
HIF1A Q16665 6/20 0.36
EPAS1 Q99814 6/20 0.36
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HTR2A P28223 1/20 0.33
SSTR5 P35346 1/20 0.33
PTPN1 P18031 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
AKR1B1 P15121 1/20 0.31
IRAK4 Q9NWZ3 3/20 0.31

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
SCHEMBL12035985 0.80 MAPT (0.41) MAPTALDH1A1KDM4EHIF1AEPAS1
SCHEMBL12036000 0.78 MAPT (0.40) MAPTALDH1A1KDM4EHIF1AEPAS1
SCHEMBL10573500 0.78 HTR2A (0.40) MAPTALDH1A1KDM4EHIF1AEPAS1
SCHEMBL5269029 0.78 MAPT (0.40) MAPTALDH1A1KDM4EHIF1AEPAS1
SCHEMBL15724661 0.78 AKR1B1 (0.46) MAPTALDH1A1KDM4EHIF1AEPAS1
SCHEMBL3047236 0.78 AKT1 (0.44) MAPTALDH1A1KDM4EHIF1AEPAS1
SCHEMBL5546007 0.78 MAPT (0.60) MAPTALDH1A1KDM4EGAAPTPN1
SCHEMBL5546004 0.78 MAPT (0.44) MAPTALDH1A1KDM4EHIF1AEPAS1
SCHEMBL7957662 0.77 MAPT (0.67) MAPTALDH1A1KDM4EGLAGAA
SCHEMBL12035990 0.76 HPGD (0.40) MAPTALDH1A1KDM4EHIF1AEPAS1

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
WO-2008139941-A1 SUBSTITUTED IMIDAZOLE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-20 WO disclosed