SCHEMBL21158175

SCHEMBL21158175

N=Cc1cc(Oc2ccc(CO)cc2F)cc(C(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.40
FFAR1 O14842 2/20 0.38
EPAS1 Q99814 2/20 0.36
AR P10275 1/20 0.36
KIF11 P52732 1/20 0.36
TLR8 Q9NR97 2/20 0.33
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
PPARD Q03181 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
ATM Q13315 1/20 0.32
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
RXRG P48443 1/20 0.32
ROCK2 O75116 1/20 0.32
ROCK1 Q13464 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
SCHEMBL19154290 0.86 AR (0.36) TTRFFAR1EPAS1ARKIF11
SCHEMBL14662604 0.84 EPAS1 (0.44) TTRFFAR1EPAS1ARKIF11
SCHEMBL15904332 0.83 FFAR1 (0.49) TTRFFAR1ARKIF11S1PR1
SCHEMBL19154082 0.81 ROCK2 (0.41) TTRFFAR1EPAS1ARKIF11
SCHEMBL875557 0.79 EPAS1 (0.52) TTRFFAR1EPAS1ARTLR8
SCHEMBL15813980 0.79 AR (0.45) EPAS1ARRXRARXRG
SCHEMBL14661984 0.77 TLR8 (0.40) TTRFFAR1EPAS1ARKIF11
SCHEMBL14662159 0.73 TTR (0.47) TTREPAS1ARS1PR1S1PR3
SCHEMBL14656182 0.73 TTR (0.47) TTREPAS1CYP4F2CYP4A11ROCK2
SCHEMBL14656214 0.73 TTR (0.51) TTRS1PR1S1PR3CYP4F2CYP4A11

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-3172211-B1 TRICYCLIC IMIDAZO-PYRIMIDINONE DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY LP-PLA2 GLAXOSMITHKLINE IP DEV LTD (GB) 2019-07-03 EP disclosed