SCHEMBL8959175

SCHEMBL8959175

CC(C)(C)c1cc(OCCOc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.63
CA1 P00915 2/20 0.63
ALDH1A1 P00352 5/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
POLB P06746 1/20 0.52
TYR P14679 1/20 0.52
MAPT P10636 3/20 0.52
ALOX15 P16050 2/20 0.52
HPN P05981 1/20 0.52
SIRT5 Q9NXA8 1/20 0.52
TSHR P16473 3/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
NPSR1 Q6W5P4 3/20 0.47
CYP1A2 P05177 3/20 0.47
MAPK1 P28482 3/20 0.47
CYP3A4 P08684 2/20 0.47
BLM P54132 2/20 0.47
ATM Q13315 2/20 0.47
HIF1A Q16665 2/20 0.47

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) CA2CA1ALDH1A1SMN1; SMN2POLB
SCHEMBL8959243 0.92 CA2 (0.59) CA2CA1ALDH1A1SMN1; SMN2POLB
SCHEMBL11586010 0.90 CA2 (0.57) CA2CA1ALDH1A1SMN1; SMN2POLB
SCHEMBL10990333 0.88 CA2 (0.55) CA2CA1ALDH1A1SMN1; SMN2POLB
SCHEMBL11648290 0.88 CA2 (0.50) CA2CA1ALDH1A1SMN1; SMN2POLB
SCHEMBL9700178 0.85 CA2 (0.52) CA2CA1ALDH1A1SMN1; SMN2POLB
SCHEMBL6693439 0.85 CA1 (0.52) CA2CA1MAPTALOX15HPN
SCHEMBL1086609 0.85 CA1 (0.52) CA2CA1MAPTALOX15HPN
SCHEMBL9999756 0.85 CA1 (0.52) CA2CA1MAPTALOX15HPN
SCHEMBL9700077 0.85 CA2 (0.52) CA2CA1ALDH1A1SMN1; SMN2POLB

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 5 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 claimed
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