SCHEMBL113356

SCHEMBL113356

C[C@H]1C/C=C\CCCCCCCCCCC1=O

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.52
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA4 P22748 1/20 0.48
MKNK2 Q9HBH9 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL4320902 1.00 KMT2A (0.52) KMT2ACA1CA2CA4MKNK2
SCHEMBL4652789 1.00 KMT2A (0.52) KMT2ACA1CA2CA4MKNK2
SCHEMBL4320907 1.00 KMT2A (0.52) KMT2ACA1CA2CA4MKNK2
SCHEMBL7908817 0.92 KMT2A (0.42) KMT2ACA1CA2CA4MKNK2
SCHEMBL24035227 0.92 CA1 (0.46) KMT2ACA1CA2CA4MKNK2
SCHEMBL25796666 0.90 CA1 (0.45) KMT2ACA1CA2CA4MKNK2
SCHEMBL14334895 0.90 CA1 (0.45) KMT2ACA1CA2CA4MKNK2
SCHEMBL14334894 0.90 CA1 (0.45) KMT2ACA1CA2CA4MKNK2
SCHEMBL14377505 0.86 CA1 (0.42) KMT2ACA1CA2CA4ALDH1A1
SCHEMBL7524222 0.84 KMT2A (0.63) KMT2ACA1CA2CA4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2625255-A2 MIXTURE OF FRAGRANCE COMPOUNDS Symrise AG (DE) 2013-08-14 EP disclosed
EP-2424829-A2 OMEGA-CYCLOHEXYLALKAN-1-OLES AND USE THEREOF AS ANTIMICROBIAL ACTIVES TO COMBAT BODY ODOR Symrise AG (DE) 2012-03-07 EP disclosed
EP-2310120-A1 CAPSULE WITH ORGANIC/INORGANIC HYBRID WALL Symrise AG (DE) 2011-04-20 EP disclosed
WO-2010142815-A2 MIXTURE OF FRAGRANCE COMPOUNDS SYMRISE GMBH & CO. KG (DE) 2010-12-16 WO disclosed
WO-2009147119-A1 CAPSULE WITH ORGANIC/INORGANIC HYBRID WALL SYMRISE GMBH & CO. KG (DE) 2009-12-10 WO disclosed
WO-2009101216-A2 OMEGA-CYCLOHEXYLALKAN-1-OLES AND USE THEREOF AS ANTIMICROBIAL ACTIVES TO COMBAT BODY ODOR SYMRISE GMBH & CO. KG (DE) 2009-08-20 WO disclosed
WO-2007065755-A1 2-METHOXYMETHYLPHENOL AS PERFUME AND AROMA SUBSTANCE SYMRISE GMBH & CO. KG (DE) 2007-06-14 WO disclosed
WO-2006074979-A1 USE OF 2,2-DIMETHYL-3-CYCLOHEXYL-1-PROPANOL AS A PERFUME SYMRISE GMBH & CO. KG (DE) 2006-07-20 WO disclosed