SCHEMBL9947561

SCHEMBL9947561

CCC1CCC(C(=O)OC2CC(C)(C)NC(C)(C)C2)CC1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.42
POLB P06746 2/20 0.34
CYP19A1 P11511 1/20 0.33
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
RECQL P46063 1/20 0.30
KMT2A Q03164 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
SCHEMBL17507693 0.89 GAA (0.43) GAA
SCHEMBL1648735 0.89 GAA (0.50) GAAPOLBMEN1RECQLKMT2A
Hydrochloric Acid SCHEMBL22734801 0.87 GAA (0.49) GAAPOLBMEN1RECQLKMT2A
SCHEMBL6023944 0.85 PKM (0.41) GAAPOLBMEN1MAPTKMT2A
SCHEMBL17507706 0.84 GAA (0.40) GAA
SCHEMBL17507690 0.84 GAA (0.46) GAARECQL
SCHEMBL8849207 0.83 GAA (0.49) GAAPOLBRECQL
SCHEMBL17507701 0.81 GAA (0.44) GAARECQL
SCHEMBL1311551 0.81 GAA (0.46) GAAMAPTRECQL
SCHEMBL17507699 0.80 GAA (0.43) GAA

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
US-9873834-B2 Liquid-crystalline medium and electro-optical display MERCK PATENT GMBH (DE) 2018-01-23 US disclosed
US-20130258268-A1 LIQUID-CRYSTALLINE MEDIUM AND ELECTRO-OPTICAL DISPLAY MERCK PATENT GMBH (DE) 2013-10-03 US disclosed
WO-2012076104-A1 LIQUID CRYSTAL MEDIUM AND ELECTROOPTIC DISPLAY MERCK PATENT GMBH (DE) 2012-06-14 WO disclosed