SCHEMBL28833766

SCHEMBL28833766

C=C(N)C(=O)Oc1ccc(C(C)(C)C)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.51
TDP1 Q9NUW8 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
PRSS1 P07477 1/20 0.50
ACR P10323 1/20 0.50
RAB9A P51151 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
NPC1 O15118 2/20 0.47
HTT P42858 1/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
NPSR1 Q6W5P4 2/20 0.46
KIF11 P52732 1/20 0.45
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
ALDH1A1 P00352 3/20 0.44
THRB P10828 1/20 0.44
MAPK1 P28482 2/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL33915 0.84 ELANE (0.56) MAPTTDP1L3MBTL1PRSS1ACR
SCHEMBL27468878 0.81 KIF11 (0.59) MAPTTDP1L3MBTL1PRSS1ACR
SCHEMBL28073639 0.79 CA1 (0.53) MAPTPRSS1ACRRAB9ASMN1; SMN2
SCHEMBL6775105 0.79 MAPT (0.56) MAPTTDP1L3MBTL1PRSS1ACR
SCHEMBL5081953 0.79 MAPT (0.49) MAPTTDP1L3MBTL1PRSS1ACR
SCHEMBL1412687 0.78 MAPT (0.47) MAPTTDP1L3MBTL1PRSS1ACR
SCHEMBL3633529 0.78 MAPT (0.64) MAPTTDP1L3MBTL1PRSS1ACR
SCHEMBL6112640 0.77 MAPT (0.54) MAPTTDP1L3MBTL1PRSS1ACR
SCHEMBL3367629 0.77 MAPT (0.58) MAPTTDP1L3MBTL1PRSS1ACR
SCHEMBL47809 0.77 MAPT (0.61) MAPTTDP1L3MBTL1PRSS1ACR

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
CN-103917094-B Glucosylceramide Synthase Inhibitors 建新公司 2016-11-09 CN disclosed