SCHEMBL27691694

SCHEMBL27691694

CC(C(=O)C(C)c1ccc(O)c(F)c1O)c1ccc(O)c(F)c1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 2/20 0.39
▸ ADRB1 P08588 2/20 0.39
▸ ADRB3 P13945 2/20 0.39
▸ ADRA2A P08913 3/20 0.38
▸ ADRA2B P18089 3/20 0.38
▸ ADRA2C P18825 3/20 0.38
▸ ADRA1A P35348 2/20 0.38
▸ ADRA1B P35368 1/20 0.38
▸ HSP90AA1 P07900 1/20 0.33
▸ HSP90AB1 P08238 1/20 0.33
▸ PTGS1 P23219 1/20 0.33
▸ PTGS2 P35354 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ DBH P09172 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ RECQL P46063 1/20 0.32
▸ RNASEH1 O60930 1/20 0.32
▸ MEP1B Q16820 1/20 0.31
▸ EIF4A3 P38919 1/20 0.31
▸ FFAR1 O14842 1/20 0.31

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
SCHEMBL19249192 0.79 GABRA1 (0.50) ADRB2ADRB1ADRB3ADRA2AADRA2B
SCHEMBL27689599 0.79 ADRB2 (0.35) ADRB2ADRB1ADRB3ADRA2AADRA2B
SCHEMBL27800576 0.78 MEN1 (0.36) ADRA1AHSP90AA1HSP90AB1PTGS1PTGS2
SCHEMBL27686304 0.77 MAPK1 (0.35) ADRA1AHSP90AA1HSP90AB1PTGS1PTGS2
SCHEMBL27691525 0.77 PTGS1 (0.33) ADRA1AHSP90AA1HSP90AB1PTGS1PTGS2
SCHEMBL27831460 0.77 PTGS1 (0.33) ADRA1AHSP90AA1HSP90AB1PTGS1PTGS2
SCHEMBL27842026 0.77 ADRB1 (0.49) ADRB1ADRB3ADRA2AADRA2BADRA2C
SCHEMBL27711675 0.77 HSP90AA1 (0.33) ADRB2ADRB1ADRB3HSP90AA1HSP90AB1
SCHEMBL27691695 0.76 ADRB2 (0.38) ADRB2ADRB1ADRB3ADRA2AADRA2B
SCHEMBL27520331 0.73 PTGS1 (0.42) HSP90AA1HSP90AB1PTGS1PTGS2KDM4E

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101955470-B Potentiators of glutamate receptors LILLY CO ELI 2012-06-13 — — CN disclosed
CN-101061105-B Potentiators of glutamate receptors LILLY CO ELI 2012-05-30 — — CN disclosed
CN-101955470-A Glutamate receptor potentiators LILLY CO ELI 2011-01-26 — — CN disclosed
CN-101061106-B Glutamate receptor potentiators LILLY CO ELI 2010-09-29 — — CN disclosed
CN-101061105-A Potentiators of glutamate receptors LILLY CO ELI (US) 2007-10-24 — — CN disclosed
CN-101061106-A Glutamate receptor potentiators LILLY CO ELI (US) 2007-10-24 — — CN disclosed
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