SCHEMBL7019657

SCHEMBL7019657

COc1nccc2cc(CO)oc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 2/20 0.44
MTNR1A P48039 1/20 0.36
TNF P01375 1/20 0.35
ALDH1A1 P00352 4/20 0.33
PDE4A P27815 2/20 0.33
PDE4B Q07343 2/20 0.33
PDE4C Q08493 2/20 0.33
PDE4D Q08499 2/20 0.33
CBFB Q13951 1/20 0.33
MKNK1 Q9BUB5 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
KDM4E B2RXH2 3/20 0.33
CYP3A4 P08684 3/20 0.33
PDE10A Q9Y233 3/20 0.33
RAB9A P51151 2/20 0.33
USP2 O75604 2/20 0.33

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
SCHEMBL7409763 0.88 TLR8 (0.49) TLR8MTNR1ATNFALDH1A1PDE4A
SCHEMBL7016987 0.85 TLR8 (0.49) TLR8MTNR1AALDH1A1PDE4APDE4B
SCHEMBL7017097 0.84 TLR8 (0.44) TLR8MTNR1AALDH1A1PDE4APDE4B
SCHEMBL1851043 0.78 TLR8 (0.44) TLR8ALDH1A1PDE4DHDAC6KDM4E
SCHEMBL16650194 0.76 KDM4E (0.40) TLR8ALDH1A1PDE4AKDM4ECYP3A4
SCHEMBL16651640 0.75 TRPA1 (0.40) TLR8MTNR1AALDH1A1PDE4AKDM4E
SCHEMBL16651306 0.75 ALDH1A1 (0.35) TLR8MTNR1ATNFALDH1A1KDM4E
SCHEMBL7019368 0.75 CCR1 (0.37) TLR8MTNR1ATNFALDH1A1KDM4E
SCHEMBL7018733 0.74 MKNK1 (0.35) TLR8MTNR1AALDH1A1PDE4APDE4B
SCHEMBL7013224 0.73 LMNA (0.57) MTNR1AALDH1A1PDE4APDE4BPDE4C

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