SCHEMBL19622283

SCHEMBL19622283

O=C(O)c1ccc(Oc2ccc(BO)c(CO)c2)nc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.45
ADRB1 P08588 2/20 0.43
ADRB3 P13945 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
OPRM1 P35372 10/20 0.40
OPRD1 P41143 9/20 0.40
OPRK1 P41145 6/20 0.40
GRM2 Q14416 1/20 0.38
CYSLTR1 Q9Y271 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
GRN P28799 1/20 0.37
SORT1 Q99523 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL19622288 0.84 CYP4F2 (0.41) MAPTOPRM1OPRD1OPRK1HRH3
SCHEMBL19622328 0.82 PDE4B (0.44) MAPTL3MBTL1OPRM1OPRD1LMNA
SCHEMBL19622200 0.75 MAPT (0.40) MAPTL3MBTL1LMNA
SCHEMBL4260035 0.74 TSHR (0.59) MAPTADRB1ADRB3L3MBTL1OPRM1
SCHEMBL13183817 0.72 MAPT (0.54) MAPTADRB1ADRB3L3MBTL1OPRM1
SCHEMBL15933217 0.71 LTA4H (0.50)
SCHEMBL1271501 0.71 MAPT (0.57) MAPTL3MBTL1OPRM1OPRD1OPRK1
SCHEMBL19622337 0.71 LMNA (0.50) MAPTL3MBTL1OPRM1OPRD1OPRK1
SCHEMBL8017433 0.71 OPRM1 (0.52) MAPTADRB1ADRB3OPRM1OPRD1
SCHEMBL6180315 0.70 MAPT (0.57) MAPTL3MBTL1OPRM1OPRD1OPRK1

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-3246034-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS Anacor Pharmaceuticals, Inc. (US) 2017-11-22 EP disclosed