SCHEMBL5013963

SCHEMBL5013963

CC(CCC(C)CC(=O)C(C)(C)C)CC(=O)C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
KMT2A Q03164 1/20 0.31
BHMT Q93088 1/20 0.31
ACE2 Q9BYF1 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
SCHEMBL14519718 0.82 CA1 (0.32) ALDH1A1TDP1KMT2A
SCHEMBL9262246 0.82 TSHR (0.35) ALDH1A1TDP1KMT2A
SCHEMBL24311586 0.81 TP53BP1 (0.31)
SCHEMBL18116114 0.80 ALDH1A1 (0.38) ALDH1A1TDP1KMT2ABHMT
SCHEMBL269050 0.78 ALDH1A1 (0.48) ALDH1A1TDP1KMT2A
SCHEMBL13543295 0.76 MAPK1 (0.35) ALDH1A1TDP1KMT2A
SCHEMBL14035478 0.76 MAPK1 (0.35) ALDH1A1TDP1KMT2A
SCHEMBL18469347 0.75
SCHEMBL5194291 0.74 HSD11B1 (0.32) ALDH1A1TDP1KMT2A
SCHEMBL20830102 0.74 GABRP (0.37) ALDH1A1TDP1KMT2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1994063-A1 PROCESS FOR MICROENCAPSULATION OF PHASE CHANGE MATERIALS, MICROCAPSULES OBTAINED AND USES THEREOF Universidad de Castilla-La Mancha (ES) 2008-11-26 EP disclosed
WO-2007107171-A1 PROCESS FOR MICROENCAPSULATION OF PHASE CHANGE MATERIALS, MICROCAPSULES OBTAINED AND USES THEREOF UNIVERSIDAD DE CASTILLA-LA MANCHA (ES) 2007-09-27 WO disclosed
US-20070062878-A1 Ion exchange resins containing monovinyl aromatic units and (meth)acrylic units crosslinked with a polyvinylaromatic and functionalized by reacting with amines containing chelating groups and hydrolyzed to acid form; adsorption of metals, especially arsenic, when loaded with iron oxide/iron oxyhydroxide LANXESS DEUTSCHLAND GMBH (DE) 2007-03-22 US disclosed
EP-1687087-A2 CHELATE EXCHANGER Lanxess Deutschland GmbH (DE) 2006-08-09 EP disclosed
WO-2005049190-A2 CHELATE EXCHANGER LANXESS DEUTSCHLAND GMBH (DE) 2005-06-02 WO disclosed