SCHEMBL4623926

SCHEMBL4623926

CCCOc1cc(C2OCC(C)(C)CO2)ccc1OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
C5AR1 P21730 2/20 0.40
APP P05067 2/20 0.39
HSD17B10 Q99714 2/20 0.39
HTR1A P08908 2/20 0.39
ADRA1D P25100 2/20 0.39
ADRA1A P35348 2/20 0.39
ADRA1B P35368 2/20 0.39
TP53 P04637 1/20 0.37
ALDH1A1 P00352 2/20 0.37
ALOX12 P18054 1/20 0.37
HTT P42858 1/20 0.37
CSF1R P07333 1/20 0.37
PRMT5 O14744 1/20 0.36
HIF1A Q16665 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL7068161 0.82 RAB9A (0.43) PDE4APDE4BPDE4CPDE4DTP53
SCHEMBL11247180 0.79 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DC5AR1
SCHEMBL4624708 0.78 NPC1 (0.43) ALDH1A1NPC1RAB9AKDM4E
SCHEMBL9778645 0.76 PDE4A (0.44) PDE4APDE4BPDE4CPDE4DC5AR1
SCHEMBL18124437 0.76 OPRM1 (0.53) TP53HIF1ANPC1RAB9ALMNA
SCHEMBL9778943 0.74 PDE4A (0.57) PDE4APDE4BPDE4CPDE4DAPP
SCHEMBL9778687 0.74 APP (0.55) PDE4APDE4BPDE4CPDE4DAPP
SCHEMBL9778463 0.72 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DAPP
SCHEMBL9778720 0.72 APP (0.53) PDE4APDE4BPDE4CPDE4DAPP
SCHEMBL15922822 0.72 HTR1A (0.65) HTR1AADRA1DADRA1AADRA1BALDH1A1

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-0860455-B1 Photocrosslinkable polymers ROLIC AG (CH) 2008-06-04 EP disclosed
US-6632909-B2 Alkylenedi- acrylates and acrylamides containing phenyl groups substituted with at least two alkoxy or fluoroalkoxy groups; use in orientation layers for liquid crystals, and in optical components, in particular hybrid layer elements. ROLIC AG (CH) 2003-10-14 US disclosed
US-20020061996-A1 Photocrosslinkable polymers BUCHECKER RICHARD (CH) 2002-05-23 US disclosed
EP-0860455-A2 Photocrosslinkable polymers Rolic AG (CH) 1998-08-26 EP disclosed