SCHEMBL7018733

SCHEMBL7018733

COc1nccc2cc(C(C)O)oc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 3/20 0.35
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
ACHE P22303 2/20 0.34
MTNR1A P48039 1/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
RAB9A P51151 1/20 0.33
DYRK1A Q13627 1/20 0.33
MAPT P10636 4/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TRPA1 O75762 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 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
SCHEMBL16650194 0.76 KDM4E (0.40) PDE4AALDH1A1KDM4ERAB9AMAPT
SCHEMBL7019368 0.75 CCR1 (0.37) MTNR1AALDH1A1KDM4ERAB9AMAPT
SCHEMBL16651640 0.75 TRPA1 (0.40) PDE4AACHEMTNR1AALDH1A1KDM4E
SCHEMBL16651306 0.75 ALDH1A1 (0.35) ACHEMTNR1AALDH1A1KDM4ERAB9A
SCHEMBL7019657 0.74 TLR8 (0.44) MKNK1PDE4APDE4BPDE4CPDE4D
SCHEMBL7013224 0.73 LMNA (0.57) PDE4APDE4BPDE4CPDE4DMTNR1A
SCHEMBL7016987 0.72 TLR8 (0.49) PDE4APDE4BPDE4CPDE4DACHE
SCHEMBL7409763 0.72 TLR8 (0.49) MKNK1PDE4APDE4BPDE4CPDE4D
SCHEMBL7017097 0.71 TLR8 (0.44) PDE4APDE4BPDE4CPDE4DACHE
SCHEMBL10559182 0.70 CA2 (0.50) ALDH1A1

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-1086106-B1 FUROPYRIDINE DERIVATIVES AND THEIR THERAPEUTICAL USE DARWIN DISCOVERY LTD (GB) 2003-08-20 EP disclosed
EP-1086106-A1 FUROPYRIDINE DERIVATIVES AND THEIR THERAPEUTICAL USE Darwin Discovery Limited (GB) 2001-03-28 EP disclosed
US-6169090-B1 FOR INHIBITION OF PHOSPHODIESTERASE IV DARWIN DISCOVERY, LTD. (GB) 2001-01-02 US disclosed
WO-1999064423-A1 FUROPYRIDINE DERIVATIVES AND THEIR THERAPEUTICAL USE DARWIN DISCOVERY LIMITED (GB) 1999-12-16 WO disclosed