SCHEMBL8959202

SCHEMBL8959202

CC(C)(C)c1cc(OCC(O)COc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.55
CA1 P00915 2/20 0.55
ALOX15 P16050 5/20 0.46
MAPT P10636 4/20 0.46
HPN P05981 1/20 0.46
SIRT5 Q9NXA8 1/20 0.46
ALDH1A1 P00352 5/20 0.45
POLB P06746 2/20 0.45
TYR P14679 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
VCAM1 P19320 1/20 0.43
TSHR P16473 4/20 0.42
NPSR1 Q6W5P4 3/20 0.42
MEN1 O00255 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
MAPK1 P28482 2/20 0.42
BLM P54132 2/20 0.42
KMT2A Q03164 2/20 0.42
ATM Q13315 2/20 0.42

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
SCHEMBL4387797 0.91 CA2 (0.50) CA2CA1ALOX15MAPTHPN
SCHEMBL5663782 0.85 VCAM1 (0.43) CA2CA1ALOX15MAPTALDH1A1
SCHEMBL17635963 0.84 CA2 (0.53) CA2CA1ALOX15MAPTHPN
Propionic Acid SCHEMBL5663789 0.82 VCAM1 (0.48) CA2CA1ALOX15VCAM1TSHR
SCHEMBL9700178 0.82 CA2 (0.52) CA2CA1ALOX15MAPTHPN
SCHEMBL9700005 0.81 CA2 (0.50) CA2CA1ALOX15MAPTHPN
SCHEMBL8959175 0.80 CA2 (0.63) CA2CA1ALOX15MAPTHPN
SCHEMBL17733082 0.79 CA2 (0.61) CA2CA1ALOX15MAPTHPN
SCHEMBL448549 0.79 CA2 (0.61) CA2CA1ALOX15MAPTHPN
SCHEMBL8959195 0.79 CA2 (0.61) CA2CA1ALOX15MAPTHPN

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