SCHEMBL2494913

SCHEMBL2494913

CC(C)(N=C=O)c1cccc(C(C)(C)N=C=O)c1.N=C=O.N=C=O

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
GAA P10253 1/20 0.33
HDAC4 P56524 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
CYP3A4 P08684 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
Carbimide SCHEMBL4253887 0.96 ESR1 (0.33) ESR1ESR2GAAHDAC4HDAC2
SCHEMBL34924 0.94 ESR1 (0.36) ESR1ESR2GAAHDAC4HDAC2
SCHEMBL12050426 0.89 ESR1 (0.33) ESR1ESR2GAAHDAC4HDAC2
SCHEMBL39076 0.89 HDAC8 (0.43) ESR1ESR2GAAHDAC4HDAC2
SCHEMBL24833769 0.87 PGK1 (0.32) ESR1ESR2GAAHDAC4HDAC2
SCHEMBL14065407 0.86 ESR1 (0.30) ESR1ESR2
SCHEMBL18126139 0.85 ESR1 (0.32) ESR1ESR2GAAHDAC4HDAC2
SCHEMBL11535151 0.85 CES2 (0.42) GAA
SCHEMBL14473846 0.85 ESR1 (0.32) ESR1ESR2GAAHDAC4HDAC2
SCHEMBL13703565 0.85 ESR1 (0.32) ESR1ESR2GAAHDAC4HDAC2

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-2011112325-A1 METHODS FOR PRODUCING PHOTOSENSITIVE MICROPARTICLES, NON-AQUEOUS DISPERSIONS THEREOF AND ARTICLES PREPARED THEREWITH TRANSITIONS OPTICAL, INC. (US) 2011-09-15 WO disclosed