SCHEMBL2592033

SCHEMBL2592033

COc1c(OC(F)F)ccc(-c2cccc3c2CCC3)c1OCc1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.38
FEN1 P39748 1/20 0.38
PTGS2 P35354 2/20 0.37
RXRA P19793 9/20 0.37
RXRB P28702 9/20 0.37
RXRG P48443 6/20 0.37
PTGER1 P34995 3/20 0.37
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.32
MRGPRX4 Q96LA9 1/20 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
SCHEMBL2583935 0.93 ALOX5AP (0.38) ALOX5APFEN1PTGS2RXRARXRB
SCHEMBL7715095 0.86 KDM4E (0.39) ALOX5APFEN1PTGS2PTGER1PDE4A
SCHEMBL14736801 0.79 KDM4E (0.41) ALOX5APFEN1PTGS2PTGER1PDE4A
SCHEMBL2581967 0.79 KDM4E (0.38) ALOX5APFEN1PTGS2
SCHEMBL2592734 0.77 ALOX5AP (0.40) ALOX5APFEN1PTGS2PTGER1PDE4A
SCHEMBL2583872 0.76 KDM4E (0.49) ALOX5APFEN1PTGS2PTGER1PDE4B
SCHEMBL2584156 0.76 NUDT1 (0.32) PTGS2
SCHEMBL14749575 0.76 MAOA (0.44) PTGS2PDE4APDE4BPDE4CPDE4D
SCHEMBL2588535 0.75 PTGS2 (0.36) ALOX5APFEN1PTGS2PTGER1PDE4A
SCHEMBL2594850 0.74 ALDH1A1 (0.41) ALOX5APFEN1PTGS2PTGER1PDE4A

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-2563770-A1 BIARYL PHOSPHODIESTERASE INHIBITORS Leo Pharma A/S (DK) 2013-03-06 EP claimed
WO-2011134468-A1 BIARYL PHOSPHODIESTERASE INHIBITORS LEO PHARMA A/S (DK) 2011-11-03 WO claimed
EP-2563770-A1 BIARYL PHOSPHODIESTERASE INHIBITORS Leo Pharma A/S (DK) 2013-03-06 EP disclosed
WO-2011134468-A1 BIARYL PHOSPHODIESTERASE INHIBITORS LEO PHARMA A/S (DK) 2011-11-03 WO disclosed