SCHEMBL2952095

SCHEMBL2952095

CCCC(C(=O)O)C1(C)CC=CCC1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.35
AKR1A1 P14550 1/20 0.35
CHRM3 P20309 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
ADRA1A P35348 1/20 0.35
HRH1 P35367 1/20 0.35
DRD3 P35462 1/20 0.35
SLC6A3 Q01959 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MME P08473 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
SCHEMBL28241039 0.73 CHRM1 (0.41) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL5370159 0.67 GPR84 (0.50)
SCHEMBL10347851 0.67
SCHEMBL5362067 0.66
SCHEMBL4361321 0.65
SCHEMBL5391660 0.63 GPR84 (0.46)
SCHEMBL28897523 0.63 CHRM1 (0.35) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL21457832 0.63 CHRM1 (0.39) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL2417620 0.62 FFAR3 (0.50)
Acetic Acid SCHEMBL15874733 0.62 FFAR3 (0.33)

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