SCHEMBL2363045

SCHEMBL2363045

CC(C)CCn1cccc(OCc2ccccc2)c1=O

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 7/20 0.67
MAPK14 Q16539 6/20 0.48
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ATP4A P20648 1/20 0.42
ATP4B P51164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.40
HTT P42858 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LIPE Q05469 1/20 0.40

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
SCHEMBL20382942 0.85 MAPK14 (0.52) GRM2MAPK14MAPTMAPK1TDP1
SCHEMBL20382949 0.82 MAPK14 (0.50) GRM2MAPK14MAPTMAPK1TDP1
SCHEMBL3072834 0.81 MAPK14 (0.51) GRM2MAPK14MAPTMAPK1TDP1
SCHEMBL20382945 0.80 MAPK14 (0.47) GRM2MAPK14MAPTMAPK1TDP1
SCHEMBL271730 0.80 MAPK14 (0.68) MAPK14MAPTMAPK1TDP1L3MBTL1
SCHEMBL20382950 0.80 MAPK14 (0.47) GRM2MAPK14MAPTMAPK1TDP1
SCHEMBL20386674 0.80 MAPK14 (0.47) GRM2MAPK14MAPTMAPK1TDP1
SCHEMBL20382952 0.80 MAPK14 (0.47) GRM2MAPK14
SCHEMBL3072830 0.80 MAPK14 (0.49) GRM2MAPK14MAPTMAPK1TDP1
SCHEMBL3074370 0.80 MAPK14 (0.47) GRM2MAPK14MAPTMAPK1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2361913-A1 Anti-infective agents Abbott Laboratories (US) 2011-08-31 EP disclosed
EP-1560827-B1 ANTI-INFECTIVE AGENTS ABBOTT LAB (US) 2010-12-29 EP disclosed