SCHEMBL3257629

SCHEMBL3257629

C=CCc1ccccc1C(C)[O]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 6/20 0.47
ADRA2A P08913 5/20 0.47
ADRA2B P18089 5/20 0.47
GABRA1 P14867 2/20 0.40
GABRB2 P47870 2/20 0.40
ADRB2 P07550 3/20 0.39
ADRB1 P08588 3/20 0.39
HTR1A P08908 3/20 0.39
LMNA P02545 2/20 0.39
KCNH2 Q12809 2/20 0.39
ADRB3 P13945 1/20 0.39
SLC6A2 P23975 1/20 0.39
BDKRB2 P30411 1/20 0.39
SLC6A4 P31645 1/20 0.39
ADRA1A P35348 1/20 0.39
HTR2B P41595 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
TSHR P16473 1/20 0.39
NFKB1 P19838 1/20 0.39

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
SCHEMBL11874663 0.84 ADRA2C (0.49) ADRA2CADRA2AADRA2BGABRA1GABRB2
SCHEMBL1501851 0.84 ADRA2C (0.49) ADRA2CADRA2AADRA2BGABRA1GABRB2
SCHEMBL11358599 0.81 ADRA2C (0.45) ADRA2CADRA2AADRA2BGABRA1GABRB2
SCHEMBL4059911 0.81 ADRA2C (0.47) ADRA2CADRA2AADRA2BGABRA1GABRB2
SCHEMBL30589993 0.81 ADRA2C (0.47) ADRA2CADRA2AADRA2BGABRA1GABRB2
SCHEMBL7868559 0.81 ADRA2C (0.47) ADRA2CADRA2AADRA2BGABRA1GABRB2
SCHEMBL601036 0.79 GABRA1 (0.45) ADRA2CADRA2AADRA2BGABRA1GABRB2
SCHEMBL9806298 0.79 TSHR (0.50) ADRA2CADRA2AADRA2BGABRA1GABRB2
SCHEMBL7167286 0.79 PTGS2 (0.46) ADRA2CADRA2AADRA2BGABRA1GABRB2
SCHEMBL20906459 0.78 ADRA2C (0.45) ADRA2CADRA2AADRA2BGABRA1GABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2157161-A1 Improvements in or relating to cleaning Reckitt-Benckiser (UK) Limited (GB) 2010-02-24 EP disclosed
US-7638470-B2 Cleaning RECKITT BENCKISER (UK) LIMITED (GB) 2009-12-29 US disclosed
EP-1771537-B1 IMPROVEMENTS IN OR RELATING TO CLEANING RECKITT BENCKISER UK LTD (GB) 2009-12-16 EP disclosed
US-20070254824-A1 Multicompartment container for a liquid cleaning compound in combination with a solid oxidation catalyst which when in contact with the cleaner causes a reaction to increase its oxidation power, or change its pH, cause gas evolution, or release heat; antisoilants; tough stains; fabrics; surfaces RECKITT BENCKISER (UK) LIMITED (GB) 2007-11-01 US disclosed
EP-1771537-A1 IMPROVEMENTS IN OR RELATING TO CLEANING Reckitt Benckiser Healthcare (UK) Limited (GB) 2007-04-11 EP disclosed
EP-1709980-A1 Emanation device Reckitt Benckiser (UK) LIMITED (GB) 2006-10-11 EP disclosed
WO-2006010889-A1 IMPROVEMENTS IN OR RELATING TO CLEANING RECKITT BENCKISER (UK) LIMITED (GB) 2006-02-02 WO disclosed