SCHEMBL17580697

SCHEMBL17580697

CCCCCCOc1c(CC)c(CC)c(O)c(OC)c1-c1ccccc1.c1cnnnc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 5/20 0.44
PDE4A P27815 4/20 0.44
PDE4C Q08493 4/20 0.44
PDE4D Q08499 4/20 0.44
CNR2 P34972 1/20 0.37
GCGR P47871 2/20 0.36
SOAT1 P35610 1/20 0.35
USP7 Q93009 2/20 0.34
PTPN1 P18031 1/20 0.34
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
ALOX5 P09917 5/20 0.32

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
SCHEMBL3515220 0.83 PDE4B (0.48) PDE4BPDE4APDE4CPDE4DCNR2
SCHEMBL3405276 0.82 CNR2 (0.43) CNR2ALOX5
SCHEMBL18138370 0.76 SOAT1 (0.36) PDE4BPDE4APDE4CPDE4DCNR2
SCHEMBL28112117 0.76 THRA (0.37) CNR2SOAT1PTPN1MAPT
SCHEMBL27530678 0.73 SOAT1 (0.40) PDE4BPDE4APDE4CPDE4DCNR2
Anisole SCHEMBL29041606 0.73 TRPV1 (0.36) PDE4DCNR2KDM4EMAPT
SCHEMBL28139838 0.72 CNR2 (0.49) PDE4BPDE4APDE4CPDE4DCNR2
SCHEMBL4937199 0.71 KDM4E (0.40) KDM4EMAPT
Anisole SCHEMBL27966148 0.70 MAPT (0.39) MAPT
Guaiacol SCHEMBL268884 0.70 CNR1 (0.40) CNR2MAPTALOX5

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-2257266-B1 COMPOSITIONS DESIGNED TO PREVENT/PROTECT AGAINST PHOTOALLERGIC AND PHOTOTOXIC SKIN REACTIONS BRAGUTI LODOVICO GIANLUCA (IT) 2016-03-16 EP disclosed