SCHEMBL27705273

SCHEMBL27705273

CC(C(=O)C(C)c1ccc(O)c(-c2ccccc2)c1O)c1ccc(O)c(-c2ccccc2)c1O

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 5/20 0.41
▸ PDE4B Q07343 5/20 0.41
▸ PDE4C Q08493 5/20 0.41
▸ PDE4D Q08499 5/20 0.41
▸ PTGS2 P35354 2/20 0.40
▸ PTGS1 P23219 1/20 0.39
▸ MAPT P10636 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ MAOA P21397 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ GABRA1 P14867 1/20 0.36
▸ GABRB1 P18505 1/20 0.36
▸ GPR35 Q9HC97 1/20 0.36

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
SCHEMBL29587166 0.82 GABRA1 (0.48) PDE4APDE4BPDE4CPDE4DPTGS1
SCHEMBL27711656 0.79 PDE4B (0.39) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL27800576 0.73 MEN1 (0.36) PTGS2PTGS1MAPTKDM4EGAA
SCHEMBL1535884 0.72 BACE1 (0.54) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL27691694 0.72 ADRB2 (0.39) PTGS2PTGS1KDM4EGAARECQL
SCHEMBL27691525 0.72 PTGS1 (0.33) PTGS2PTGS1KDM4EGAARECQL
SCHEMBL27831460 0.72 PTGS1 (0.33) PTGS2PTGS1KDM4EPOLBGAA
SCHEMBL27686304 0.72 MAPK1 (0.35) PTGS2PTGS1MAPTKDM4EGAA
SCHEMBL31275930 0.71 ALOX5 (0.46) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL9348187 0.71 ALOX5 (0.46) PDE4APDE4BPDE4CPDE4DMAPT

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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