SCHEMBL13293227

SCHEMBL13293227

O=C[C@@H](c1ccccc1)N1CCOC1=O

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.50
NAAA Q02083 8/20 0.35
FAAH O00519 8/20 0.35
HSD11B1 P28845 1/20 0.33
TNKS O95271 1/20 0.33
RET P07949 1/20 0.33
KDR P35968 1/20 0.33
IDH1 O75874 1/20 0.32

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
SCHEMBL10442245 0.74 KDM4E (0.50) KDM4ENAAAFAAH
SCHEMBL8592112 0.73 KDM4E (0.49) KDM4ENAAAFAAH
SCHEMBL15792768 0.72 KDM4E (0.55) KDM4ENAAAFAAHHSD11B1IDH1
SCHEMBL8151147 0.72 KDM4E (0.48) KDM4ENAAAFAAH
Hydrochloric Acid SCHEMBL8591196 0.72 KDM4E (0.48) KDM4ENAAAFAAH
SCHEMBL30252357 0.72 KDM4E (0.48) KDM4ENAAAFAAH
SCHEMBL6820802 0.72 KDM4E (0.51) KDM4ENAAAFAAH
SCHEMBL1516145 0.71 ALDH1A1 (0.50)
SCHEMBL12068487 0.71 ALDH1A1 (0.50)
SCHEMBL9575065 0.71 KDM4E (0.47) KDM4ENAAAFAAHHSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010065668-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2010-06-10 WO disclosed