SCHEMBL19231007

SCHEMBL19231007

COc1cc(OCOP)ccc1Cc1c(C)nc(N)nc1O

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 17/20 0.43
TLR8 Q9NR97 4/20 0.40
HSP90AB1 P08238 1/20 0.39
TSHR P16473 1/20 0.38

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
SCHEMBL16626811 0.85 TLR7 (0.51) TLR7TLR8
Hydrochloric Acid SCHEMBL15391267 0.84 TLR7 (0.51) TLR7TLR8
SCHEMBL6119059 0.83 FFAR1 (0.48) TLR7
SCHEMBL3699875 0.82 TLR7 (0.51) TLR7TLR8
SCHEMBL2847695 0.81 TLR7 (0.47) TLR7TLR8TSHR
SCHEMBL15305558 0.81 MPO (0.49) TLR7TLR8
SCHEMBL6120720 0.79 TLR7 (0.45) TLR7TLR8
SCHEMBL3705863 0.79 TLR7 (0.43) TLR7
SCHEMBL8547814 0.79 TLR7 (0.43) TLR7
SCHEMBL6122292 0.78 TLR7 (0.52) TLR7TLR8

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-2850067-B1 CARBOXYLIC ACID COMPOUNDS SUMITOMO DAINIPPON PHARMA CO LTD (JP) 2017-08-16 EP disclosed