SCHEMBL27711675

SCHEMBL27711675

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

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 2/20 0.33
▸ HSP90AB1 P08238 2/20 0.33
▸ P2RX1 P51575 1/20 0.32
▸ AR P10275 1/20 0.31
▸ MLYCD O95822 1/20 0.31
▸ ADRB2 P07550 1/20 0.30
▸ ADRB1 P08588 1/20 0.30
▸ ADRB3 P13945 1/20 0.30
▸ PIK3CA P42336 1/20 0.30
▸ PTGS1 P23219 1/20 0.30
▸ PTGS2 P35354 1/20 0.30
▸ PDE2A O00408 2/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ DBH P09172 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ RECQL P46063 1/20 0.30

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
SCHEMBL27711676 0.78 — —
SCHEMBL27691694 0.77 ADRB2 (0.39) HSP90AA1HSP90AB1ADRB2ADRB1ADRB3
SCHEMBL27800576 0.74 MEN1 (0.36) HSP90AA1HSP90AB1PTGS1PTGS2MEN1
SCHEMBL27686304 0.73 MAPK1 (0.35) HSP90AA1HSP90AB1PTGS1PTGS2MEN1
SCHEMBL27831460 0.73 PTGS1 (0.33) HSP90AA1HSP90AB1PTGS1PTGS2KDM4E
SCHEMBL27691525 0.73 PTGS1 (0.33) HSP90AA1HSP90AB1PTGS1PTGS2KDM4E
SCHEMBL1829709 0.72 GRM2 (0.41) HSP90AA1HSP90AB1PIK3CAKDM4EDBH
SCHEMBL28186848 0.72 PDE2A (0.47) HSP90AA1HSP90AB1PDE2AMEN1KMT2A
SCHEMBL27689599 0.71 ADRB2 (0.35) ADRB2ADRB1ADRB3PTGS1PTGS2
SCHEMBL27846971 0.70 PIM1 (0.36) PIK3CAMEN1KMT2ARECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101061105-B Potentiators of glutamate receptors LILLY CO ELI 2012-05-30 — — CN disclosed
CN-102099344-A Imidazole carboxamides LILLY CO ELI 2011-06-15 — — CN disclosed
CN-101061105-A Potentiators of glutamate receptors LILLY CO ELI (US) 2007-10-24 — — CN disclosed
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