SCHEMBL4389262

SCHEMBL4389262

C=CC(=O)OCCOC(=O)C1C2CC(Sc3cccc4ccccc34)C(C2)C1C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.37
FABP7 O15540 5/20 0.31
FABP3 P05413 5/20 0.31
FABP5 Q01469 4/20 0.31
GRM2 Q14416 1/20 0.31
GRM3 Q14832 1/20 0.31
MEN1 O00255 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL4383543 0.74 TSHR (0.34) THRB
SCHEMBL3746869 0.70 THRB (0.47) THRBMEN1RAB9AKMT2A
SCHEMBL4388134 0.69 TSHR (0.41) THRB
SCHEMBL8028277 0.68 THRB (0.44) THRBMEN1KMT2A
SCHEMBL8044874 0.67 TSHR (0.46) THRBMEN1KMT2A
SCHEMBL24595938 0.67 KMT2A (0.63) THRBFABP7FABP3FABP5MEN1
SCHEMBL23963473 0.66 ALDH1A1 (0.46) THRBMEN1RAB9AKMT2A
SCHEMBL29384579 0.65 THRB (0.53) THRBMEN1KMT2A
SCHEMBL68668 0.65 THRB (0.53) THRBMEN1KMT2A
SCHEMBL7857605 0.64 TSHR (0.41) THRB

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
US-7629424-B2 Metal-containing compositions and method of making same PRYOG, LLC (US) 2009-12-08 US claimed
US-20080015278-A1 Metal-Containing Compositions and Method of Making Same PRYOG, LLC 2008-01-17 US claimed
WO-2007070092-A2 METAL-CONTAINING COMPOSITIONS AND METHOD OF MAKING SAME PRYOG, LLC (US) 2007-06-21 WO claimed
US-7629424-B2 Metal-containing compositions and method of making same PRYOG, LLC (US) 2009-12-08 US disclosed
US-20080015278-A1 Metal-Containing Compositions and Method of Making Same PRYOG, LLC 2008-01-17 US disclosed
WO-2007070092-A2 METAL-CONTAINING COMPOSITIONS AND METHOD OF MAKING SAME PRYOG, LLC (US) 2007-06-21 WO disclosed