SCHEMBL5452410

SCHEMBL5452410

COc1ccc(COP(O)OCc2ccc(OC)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.55
AGXT P21549 2/20 0.55
CALM1 P0DP23 2/20 0.50
APP P05067 5/20 0.48
HTT P42858 1/20 0.48
LDHA P00338 1/20 0.48
NPC1 O15118 1/20 0.47
POLB P06746 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MAOB P27338 1/20 0.47
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA12 O43570 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46

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
SCHEMBL8389197 0.88 IDO1 (0.55) IDO1AGXTCALM1APPHTT
SCHEMBL3104659 0.78 AGXT (0.52) IDO1AGXTNPC1POLBRAB9A
SCHEMBL29146124 0.78 IDO1 (0.52) IDO1APPNPC1RAB9ACA1
SCHEMBL356637 0.76 IDO1 (0.61) IDO1AGXTCALM1APPHTT
Methyl Alcohol SCHEMBL28823289 0.76 IDO1 (0.61) IDO1AGXTCALM1APPHTT
SCHEMBL31270 0.75 IDO1 (0.67) IDO1AGXTCALM1APPHTT
SCHEMBL27455063 0.75 IDO1 (0.67) IDO1AGXTCALM1APPHTT
SCHEMBL34413 0.75 IDO1 (0.67) IDO1AGXTCALM1APPHTT
SCHEMBL11654194 0.74 IDO1 (0.52) IDO1AGXTAPPHTTPOLB
SCHEMBL2976159 0.74 IDO1 (0.52) IDO1AGXTCALM1HTTLDHA

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
US-20070219378-A1 Method for Producing Sodium Fosphenytoin CILAG AG (CH) 2007-09-20 US claimed
US-20070219378-A1 Method for Producing Sodium Fosphenytoin CILAG AG (CH) 2007-09-20 US disclosed