SCHEMBL2953556

SCHEMBL2953556

CCCCCC(C)C(=O)OC1CCC(=O)C1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.39
CCR2 P41597 1/20 0.38
NAAA Q02083 2/20 0.34
PRKCA P17252 5/20 0.33
ACE2 Q9BYF1 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
ADRA1A P35348 1/20 0.33
CHRNA4 P43681 1/20 0.33
HTR3A P46098 1/20 0.33
KCNH2 Q12809 1/20 0.33
PTGER4 P35408 3/20 0.33
PTGER3 P43115 3/20 0.33
PTGER2 P43116 3/20 0.33

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
SCHEMBL27200276 0.82 CA1 (0.48) CA1CCR2NAAAACE2CHRM2
SCHEMBL29233727 0.81 NAAA (0.47) CA1CCR2NAAAACE2CHRM2
SCHEMBL8856255 0.78 NAAA (0.57) CA1CCR2NAAAACE2CHRM2
SCHEMBL7218260 0.78 NAAA (0.55) CA1CCR2NAAAACE2CHRM2
SCHEMBL27407064 0.77 CHRM2 (0.43) CA1NAAAPRKCACHRM2CHRM1
SCHEMBL17522504 0.77 THRB (0.40) CHRM2CHRM1CHRM3
SCHEMBL1472641 0.77 AKR1C4 (0.32)
SCHEMBL7222848 0.77 NAAA (0.58) CA1CCR2NAAAACE2
SCHEMBL28644664 0.75 CA1 (0.42) CA1CCR2NAAAACE2CHRM2
Ammonia Solution, Strong SCHEMBL27918763 0.75 NAAA (0.56) CA1CCR2NAAAACE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2134377-B1 FRAGRANCE DISPENSER SYMRISE AG (DE) 2012-07-18 EP claimed
US-8191796-B2 Fragrance dispenser SYMRISE AG (DE) 2012-06-05 US claimed
US-20100056422-A1 FRAGRANCE DISPENSER SYMRISE GMBH & CO. KG (DE) 2010-03-04 US claimed
EP-2134377-A1 FRAGRANCE DISPENSER Symrise GmbH & Co. KG (DE) 2009-12-23 EP claimed
WO-2008104226-A1 FRAGRANCE DISPENSER SYMRISE GMBH & CO. KG (DE) 2008-09-04 WO claimed
EP-2134377-B1 FRAGRANCE DISPENSER SYMRISE AG (DE) 2012-07-18 EP disclosed
US-8191796-B2 Fragrance dispenser SYMRISE AG (DE) 2012-06-05 US disclosed
US-20100056422-A1 FRAGRANCE DISPENSER SYMRISE GMBH & CO. KG (DE) 2010-03-04 US disclosed
EP-2134377-A1 FRAGRANCE DISPENSER Symrise GmbH & Co. KG (DE) 2009-12-23 EP disclosed
WO-2008104226-A1 FRAGRANCE DISPENSER SYMRISE GMBH & CO. KG (DE) 2008-09-04 WO disclosed