SCHEMBL6698682

SCHEMBL6698682

OCC(O)CCCC(O)OCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.42
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
SLC1A3 P43003 2/20 0.38
SLC1A2 P43004 2/20 0.38
SLC1A1 P43005 2/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
TSHR P16473 1/20 0.36
LTA4H P09960 1/20 0.35
EPHX2 P34913 1/20 0.35
TRPA1 O75762 1/20 0.35
RCE1 Q9Y256 1/20 0.35
IDO1 P14902 1/20 0.34
TRPV1 Q8NER1 1/20 0.34

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
SCHEMBL29087906 0.84 LTA4H (0.45) CA1CA2CA7CA9SLC1A3
SCHEMBL4488619 0.84 LTA4H (0.45) CA1CA2CA7CA9SLC1A3
SCHEMBL3779628 0.84 CA1 (0.44) CA1CA2CA7CA9SLC1A3
SCHEMBL22455862 0.83 LTA4H (0.44) CA1CA2CA7CA9SLC1A3
SCHEMBL29172647 0.82 CA1 (0.48) CA1CA2CA7CA9SLC1A3
SCHEMBL14047449 0.81 CA1 (0.46) CA1CA2CA7CA9SLC1A3
SCHEMBL2223254 0.80 CA1 (0.47) CA1CA2CA7CA9SLC1A3
SCHEMBL2182396 0.80 CA1 (0.47) CA1CA2CA7CA9SLC1A3
SCHEMBL4450876 0.80 TRPA1 (0.38) CA1CA2CA7CA9SLC1A3
SCHEMBL5722097 0.80 TRPA1 (0.38) CA1CA2CA7CA9SLC1A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8828902-B2 Microencapsulated catalyst methods of preparation and method of use thereof REAXA LIMITED (GB) 2014-09-09 US disclosed
US-20040254066-A1 Dissolving or dispersion forming emulsion; transition metal catalyst encapsulated within a permeable polymer; catalyst for foirming polyol from olefin REAXA LIMITED (GB) 2004-12-16 US disclosed
EP-1409125-A1 MICROENCAPSULATED CATALYST, METHODS OF PREPARATION AND METHODS OF USE THEREOF Avecia Limited (GB) 2004-04-21 EP disclosed
WO-2003006151-A1 MICROENCAPSULATED CATALYST, METHODS OF PREPARATION AND METHODS OF USE THEREOF AVECIA LIMITED (GB) 2003-01-23 WO disclosed