SCHEMBL2913639

SCHEMBL2913639

C=C(C)COc1cc(C(=O)OC)ccc1OC(F)F

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 8/20 0.47
PDE4B Q07343 8/20 0.47
PDE4C Q08493 8/20 0.47
PDE4D Q08499 8/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
MAPT P10636 3/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
LMNA P02545 2/20 0.42
MEN1 O00255 1/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 1/20 0.42
KDM4E B2RXH2 2/20 0.41
HTT P42858 2/20 0.41
RAB9A P51151 2/20 0.41
GLA P06280 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL2911858 0.87 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL2912573 0.85 MAPT (0.59) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL28033776 0.84 KMT2A (0.56) PDE4APDE4BPDE4CPDE4DL3MBTL1
SCHEMBL642934 0.82 MAPT (0.59) MAPTLMNAMEN1MAPK1KMT2A
SCHEMBL29204581 0.82 PDE4B (0.52) PDE4APDE4BPDE4CPDE4DL3MBTL1
SCHEMBL12035935 0.81 TTR (0.54) MAPTGAAMEN1KMT2AKDM4E
SCHEMBL3738587 0.81 MAPT (0.64) L3MBTL1MAPTPOLBGAALMNA
SCHEMBL19558318 0.80 CA12 (0.54) MAPTPOLBLMNAMEN1MAPK1
SCHEMBL3009040 0.79 MAPT (0.43) MAPTGAALMNAMEN1KMT2A
SCHEMBL3629768 0.79 NOTUM (0.48) L3MBTL1MAPTLMNAMEN1MAPK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1879884-B1 AZOLE-BASED PHOSPHODIESTERASE INHIBITORS RANBAXY LAB LTD (IN) 2010-08-25 EP disclosed
EP-1879884-A1 AZOLE-BASED PHOSPHODIESTERASE INHIBITORS Ranbaxy Laboratories Limited (IN) 2008-01-23 EP disclosed
WO-2006117653-A1 AZOLE-BASED PHOSPHODIESTERASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2006-11-09 WO disclosed