SCHEMBL4422950

SCHEMBL4422950

O=Cc1cc(Br)ccc1OP(=O)(O)O

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SRC P12931 4/20 0.59
PTGDR2 Q9Y5Y4 1/20 0.54
ERN1 O75460 3/20 0.50
INPPL1 O15357 11/20 0.46
INPP5A Q14642 6/20 0.46
AKT1 P31749 1/20 0.46
INPP5B P32019 2/20 0.45

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
SCHEMBL13322867 0.79 PTGDR2 (0.47) SRCPTGDR2ERN1
SCHEMBL4370189 0.78 MAPK1 (0.54) INPPL1INPP5AAKT1INPP5B
SCHEMBL8388387 0.77 SRC (0.56) SRCERN1INPPL1INPP5AAKT1
SCHEMBL27746698 0.77 MAPK1 (0.52) INPPL1INPP5AAKT1INPP5B
SCHEMBL1415050 0.76 PTGDR2 (0.44) SRCPTGDR2ERN1
SCHEMBL28441264 0.76 PTGDR2 (0.57) PTGDR2ERN1
SCHEMBL13343010 0.75 INPPL1 (0.48) INPPL1INPP5AAKT1INPP5B
SCHEMBL9135651 0.74 PTGDR2 (0.46) SRCPTGDR2ERN1
SCHEMBL3514846 0.74 SRC (1.00) SRCPTGDR2ERN1INPPL1INPP5A
SCHEMBL153974 0.74 ERN1 (0.58) PTGDR2ERN1

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
WO-2009152171-A1 CORTICOSTEROID LINKED BETA-AGONIST COMPOUNDS FOR USE IN THERAPY GILEAD SCIENCES, INC. (US) 2009-12-17 WO disclosed