SCHEMBL9099285

SCHEMBL9099285

CCN(CC)c1ccc(-c2nc(-c3cc(OC)c(O)c(OC)c3)n(C(C)=O)c2-c2ccc(N(CC)CC)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMPD3 Q9NY59 5/20 0.40
FGFR1 P11362 1/20 0.38
ALDH1A1 P00352 6/20 0.37
MAPT P10636 5/20 0.37
HPGD P15428 2/20 0.37
GSK3B P49841 1/20 0.37
GAA P10253 3/20 0.36
NPSR1 Q6W5P4 3/20 0.36
HTT P42858 2/20 0.36
MAPK1 P28482 2/20 0.36
TP53 P04637 2/20 0.36
KDM4E B2RXH2 1/20 0.36
USP2 O75604 1/20 0.36
LMNA P02545 1/20 0.36
ESR1 P03372 1/20 0.36
GLA P06280 1/20 0.36
TSHR P16473 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL10914827 0.90 SMPD3 (0.38) SMPD3FGFR1ALDH1A1MAPTHPGD
SCHEMBL9684929 0.86 ALDH1A1 (0.36) SMPD3FGFR1ALDH1A1MAPTHPGD
SCHEMBL9494004 0.86 SMPD3 (0.40) SMPD3FGFR1ALDH1A1MAPTHPGD
SCHEMBL4087612 0.85 SMPD3 (0.37) SMPD3FGFR1ALDH1A1MAPTHPGD
SCHEMBL12152129 0.85 TEK (0.40) SMPD3FGFR1ALDH1A1MAPTHPGD
Toluene SCHEMBL9775158 0.84 SMPD3 (0.38) SMPD3ALDH1A1MAPTHPGDGSK3B
SCHEMBL9683799 0.83 SMPD3 (0.37) SMPD3ALDH1A1MAPTHPGDGAA
SCHEMBL9683039 0.83 ALDH1A1 (0.39) SMPD3ALDH1A1MAPTHPGDGAA
SCHEMBL10082739 0.78 FABP4 (0.36) SMPD3ALDH1A1MAPTGAANPSR1
SCHEMBL9684907 0.77 SMPD3 (0.35) SMPD3MAPTTP53NOX1

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-5589347-A Multilayer analysis elements for the determination of total cholesterol FUJI PHOTO FILM CO., LTD. (JP) 1996-12-31 US disclosed
EP-0272578-B1 MULTILAYER ANALYSIS ELEMENTS FOR THE DETERMINATION OF TOTAL CHOLESTEROL Fuji Photo Film Co., Ltd. (JP) 1993-03-24 EP disclosed