SCHEMBL9410165

SCHEMBL9410165

COc1ccccc1N1CCN(CC(O)COc2ccccc2C(C)(C)C)CC1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.81
TP53 P04637 3/20 0.81
HSP90AB1 P08238 2/20 0.71
ALDH1A1 P00352 3/20 0.71
LMNA P02545 5/20 0.70
MEN1 O00255 5/20 0.70
KMT2A Q03164 5/20 0.70
MAPK1 P28482 2/20 0.70
TDP1 Q9NUW8 2/20 0.70
KDM4E B2RXH2 2/20 0.70
HIF1A Q16665 2/20 0.70
KCNH2 Q12809 2/20 0.70
NR1I2 O75469 1/20 0.70
NR3C1 P04150 1/20 0.70
ADRB1 P08588 1/20 0.70
HTR1A P08908 1/20 0.70
ADRA2A P08913 1/20 0.70
DRD2 P14416 1/20 0.70
ADRA2B P18089 1/20 0.70
ADRA2C P18825 1/20 0.70

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
Hydrochloric Acid SCHEMBL9410177 0.99 MAPT (0.80) MAPTTP53HSP90AB1ALDH1A1LMNA
SCHEMBL9410209 0.90 MAPT (1.00) MAPTTP53HSP90AB1ALDH1A1LMNA
SCHEMBL9410198 0.90 MAPT (0.82) MAPTTP53HSP90AB1ALDH1A1LMNA
Hydrochloric Acid SCHEMBL9410218 0.89 MAPT (0.98) MAPTTP53HSP90AB1ALDH1A1LMNA
Hydrochloric Acid SCHEMBL9410223 0.89 MAPT (0.81) MAPTTP53HSP90AB1ALDH1A1LMNA
SCHEMBL7708516 0.85 MAPT (0.70) MAPTTP53HSP90AB1ALDH1A1LMNA
SCHEMBL8611873 0.84 MAPT (0.73) MAPTTP53HSP90AB1ALDH1A1LMNA
Hydrochloric Acid SCHEMBL7711145 0.84 MAPT (0.69) MAPTTP53HSP90AB1ALDH1A1LMNA
SCHEMBL17313697 0.84 KCNH2 (0.78) MAPTTP53HSP90AB1ALDH1A1LMNA
SCHEMBL7711545 0.83 MAPT (0.71) MAPTTP53HSP90AB1ALDH1A1LMNA

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-0611748-A1 Propanolamine derivatives and their use as hypotensive or antiglaucoma agents Senju Pharmaceutical Co., Ltd. (JP) 1994-08-24 EP claimed