SCHEMBL17550792

SCHEMBL17550792

COCCN(CCOC)c1ccc(N)c(C)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100B P04271 1/20 0.61
ALDH1A1 P00352 3/20 0.39
TDP1 Q9NUW8 3/20 0.39
CYP3A4 P08684 2/20 0.39
TSHR P16473 1/20 0.39
SKP2 Q13309 1/20 0.35
CRHR1 P34998 7/20 0.34
HRH4 Q9H3N8 1/20 0.34
MAPT P10636 4/20 0.33
LMNA P02545 2/20 0.33
HTT P42858 2/20 0.33
ESR1 P03372 1/20 0.33
AR P10275 1/20 0.33
ESR2 Q92731 1/20 0.33
MAPK1 P28482 2/20 0.32
GFER P55789 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
GAA P10253 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
SCHEMBL1537916 0.92 S100B (0.70) S100BALDH1A1TDP1CYP3A4TSHR
SCHEMBL15894606 0.87 S100B (0.54) S100BALDH1A1TDP1CYP3A4TSHR
SCHEMBL5363997 0.85 S100B (0.60) S100BALDH1A1TDP1CYP3A4TSHR
SCHEMBL10420297 0.85 S100B (0.50) S100BALDH1A1TDP1CYP3A4TSHR
SCHEMBL19956229 0.85 S100B (0.59) S100BALDH1A1TDP1CYP3A4TSHR
SCHEMBL6470585 0.84 S100B (0.62) S100BALDH1A1TDP1CYP3A4TSHR
SCHEMBL9659187 0.84 S100B (0.62) S100BALDH1A1TDP1CYP3A4TSHR
SCHEMBL11384718 0.84 S100B (0.62) S100BALDH1A1TDP1CYP3A4TSHR
SCHEMBL6470613 0.84 S100B (0.62) S100BALDH1A1TDP1CYP3A4TSHR
SCHEMBL11649890 0.84 S100B (0.62) S100BALDH1A1TDP1CYP3A4TSHR

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-9343594-B2 Conductive composition, conductive member and production method thereof, touch panel, and solar cell FUJIFILM CORPORATION (JP) 2016-05-17 US disclosed
US-20160064674-A1 ORGANIC SEMICONDUCTOR COMOSITION, ORGANIC THIN-FILM TRANSISTOR, ELECTRONIC PAPER, AND DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2016-03-03 US disclosed