SCHEMBL8959243

SCHEMBL8959243

CC(C)(C)c1cc(OCCCCCCCCCCOc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.59
CA1 P00915 2/20 0.59
MAPT P10636 2/20 0.48
ALOX15 P16050 2/20 0.48
HPN P05981 1/20 0.48
SIRT5 Q9NXA8 1/20 0.48
ALDH1A1 P00352 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
POLB P06746 1/20 0.48
TYR P14679 1/20 0.48
TSHR P16473 3/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
NPSR1 Q6W5P4 3/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
MAPK1 P28482 2/20 0.44
BLM P54132 2/20 0.44
ATM Q13315 2/20 0.44
HIF1A Q16665 2/20 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
SCHEMBL8959195 0.94 CA2 (0.61) CA2CA1MAPTALOX15HPN
SCHEMBL6693439 0.93 CA1 (0.52) CA2CA1MAPTALOX15HPN
SCHEMBL1086609 0.93 CA1 (0.52) CA2CA1MAPTALOX15HPN
SCHEMBL9999756 0.93 CA1 (0.52) CA2CA1MAPTALOX15HPN
SCHEMBL8959175 0.92 CA2 (0.63) CA2CA1MAPTALOX15HPN
SCHEMBL7352200 0.91 CA2 (0.50) CA2CA1MAPTALOX15HPN
SCHEMBL10990333 0.89 CA2 (0.55) CA2CA1MAPTALOX15HPN
SCHEMBL9417678 0.87 CA2 (0.46) CA2CA1MAPTALOX15HPN
SCHEMBL9417725 0.87 CA2 (0.46) CA2CA1MAPTALOX15HPN
SCHEMBL11586010 0.86 CA2 (0.57) CA2CA1MAPTALOX15HPN

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0579622-B1 NEW PHENOL ETHERS, PROCESS FOR PRODUCING THE SAME AND MEDICAMENTS CONTAINING THESE COMPOUNDS BOEHRINGER MANNHEIM GMBH (DE) 1996-01-24 EP disclosed
EP-0579622-A1 NEW PHENOL ETHERS, PROCESS FOR PRODUCING THE SAME AND MEDICAMENTS CONTAINING THESE COMPOUNDS. BOEHRINGER MANNHEIM GMBH (DE) 1994-01-26 EP disclosed
WO-1992016485-A1 NEW PHENOL ETHERS, PROCESS FOR PRODUCING THE SAME AND MEDICAMENTS CONTAINING THESE COMPOUNDS BOEHRINGER MANNHEIM GMBH (DE) 1992-10-01 WO disclosed
EP-0505923-A1 Phenol ethers, process for their preparation and medicaments containing them Roche Diagnostics GmbH (DE) 1992-09-30 EP disclosed