SCHEMBL6056484

SCHEMBL6056484

CC(CCOc1ccc(F)cc1)CCC(CN)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.43
PPARD Q03181 3/20 0.43
PPARA Q07869 3/20 0.43
KDM4E B2RXH2 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HTT P42858 2/20 0.42
GAA P10253 1/20 0.42
LTA4H P09960 2/20 0.41
FAAH O00519 2/20 0.39
EPHX2 P34913 1/20 0.39
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL6056332 0.88 MAPK1 (0.44) MAPK1SMN1; SMN2HTTGAAEPHX2
SCHEMBL6056303 0.88 PPARG (0.44) MAPK1PPARDPPARASMN1; SMN2HTT
SCHEMBL6056315 0.87 PPARA (0.50) MAPK1PPARAHTTGAAEPHX2
SCHEMBL6056262 0.85 PPARG (0.41) PPARA
SCHEMBL21245515 0.83 ALDH1A1 (0.48) KDM4EGAATDP1
SCHEMBL6056264 0.82 KDM4E (0.46) PPARAKDM4EHTTGAATDP1
SCHEMBL6056240 0.79 ALDH1A1 (0.48) MAPK1PPARAKDM4ETDP1
SCHEMBL6056319 0.78 KDM4E (0.49) PPARDPPARAKDM4EHTT
SCHEMBL21245496 0.77 KDM4E (0.51) PPARDPPARAKDM4EHTTGAA
SCHEMBL6056250 0.77 MEN1 (0.44) PPARDPPARASMN1; SMN2HTTTDP1

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-1675582-A1 COMBINATION COMPRISING AN ALPHA-2-DELTA LIGAND AND AN SSRI AND/OR SNRI FOR TREATMENT OF DEPRESSION AND ANXIETY DISORDERS Warner-Lambert Company LLC (US) 2006-07-05 EP disclosed
WO-2005025563-A1 COMBINATION COMPRISING AN ALPHA-2-DELTA LIGAND AND AN SSRI AND/OR SNRI FOR TREATMENT OF DEPRESSION AND ANXIETY DISORDERS WARNER-LAMBERT COMPANY LLC (US) 2005-03-24 WO disclosed