SCHEMBL27691525

SCHEMBL27691525

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

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 2/20 0.33
▸ HSP90AA1 P07900 1/20 0.33
▸ HSP90AB1 P08238 1/20 0.33
▸ PTGS2 P35354 1/20 0.33
▸ GABRA1 P14867 2/20 0.32
▸ GABRB1 P18505 2/20 0.32
▸ GABRB2 P47870 2/20 0.32
▸ 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
▸ LMNA P02545 2/20 0.31
▸ SLC6A2 P23975 2/20 0.31
▸ HTR2B P41595 2/20 0.31
▸ FFAR1 O14842 1/20 0.31
▸ TYR P14679 1/20 0.31
▸ TRPA1 O75762 1/20 0.31
▸ CHRM1 P11229 1/20 0.31
▸ ADRA1A P35348 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
SCHEMBL27800576 0.78 MEN1 (0.36) PTGS1HSP90AA1HSP90AB1PTGS2GABRA1
SCHEMBL27686304 0.77 MAPK1 (0.35) PTGS1HSP90AA1HSP90AB1PTGS2GABRA1
SCHEMBL27831460 0.77 PTGS1 (0.33) PTGS1HSP90AA1HSP90AB1PTGS2GABRA1
SCHEMBL27691694 0.77 ADRB2 (0.39) PTGS1HSP90AA1HSP90AB1PTGS2KDM4E
SCHEMBL27691527 0.76 ERN1 (0.32) GABRA1GABRB1GABRB2RNASEH1TYR
SCHEMBL27711675 0.73 HSP90AA1 (0.33) PTGS1HSP90AA1HSP90AB1PTGS2KDM4E
SCHEMBL27609913 0.72 CA1 (0.46) PTGS1GABRA1GABRB1GABRB2KDM4E
SCHEMBL27705273 0.72 PDE4A (0.41) PTGS1PTGS2GABRA1GABRB1KDM4E
SCHEMBL27641334 0.72 PRKCI (0.39) HSP90AA1HSP90AB1KDM4EFFAR1HPGD
SCHEMBL1827944 0.69 GAA (0.44) HSP90AA1HSP90AB1KDM4EDBHGAA

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 7 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-102099344-A Imidazole carboxamides LILLY CO ELI 2011-06-15 — — 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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