SCHEMBL765533

SCHEMBL765533

CONC(=O)c1oc(C(C)(C)OC)cc1Cc1ccc(F)cc1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.37
NPSR1 Q6W5P4 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HPGD P15428 1/20 0.35
CNR2 P34972 6/20 0.35
CNR1 P21554 4/20 0.35
GPR55 Q9Y2T6 2/20 0.35
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
HSP90AA1 P07900 1/20 0.34
HSP90B1 P14625 1/20 0.34
PPARA Q07869 1/20 0.34
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL756036 0.87 MAPK14 (0.36) MAPK14NPSR1MEN1KMT2AHPGD
SCHEMBL765758 0.86 CNR2 (0.37) MAPK14NPSR1MEN1KMT2ACNR2
SCHEMBL16921577 0.81 NPSR1 (0.36) MAPK14NPSR1MEN1KMT2ACNR2
SCHEMBL754114 0.80 CA12 (0.34) MAPK14NPSR1MEN1KMT2AHPGD
SCHEMBL754113 0.80 CA12 (0.34) MAPK14NPSR1MEN1KMT2AHPGD
SCHEMBL27756470 0.76 MAPK14 (0.36) MAPK14NPSR1MEN1KMT2AHPGD
SCHEMBL18531653 0.76 MAPK14 (0.47) MAPK14NPSR1MEN1KMT2AHPGD
SCHEMBL754083 0.74 LIPG (0.45) CNR2CNR1GPR55HSP90AA1
SCHEMBL753713 0.73 MEN1 (0.43) MAPK14NPSR1MEN1KMT2AHPGD
SCHEMBL754549 0.72 LIPG (0.35) MEN1KMT2ACNR2CNR1GPR55

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
EP-1422218-B1 ANTIVIRAL AGENT SHIONOGI & CO (JP) 2012-03-21 EP disclosed