SCHEMBL9050445

SCHEMBL9050445

O=C1NC(=O)c2c(OCc3cc(=O)c(OC(c4ccccc4)c4ccccc4)cn3OC(c3ccccc3)c3ccccc3)cccc21

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
STK10 O94804 3/20 0.33
SLK Q9H2G2 3/20 0.33
CHEK1 O14757 1/20 0.30
WEE1 P30291 1/20 0.30
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30
CASP3 P42574 2/20 0.30
CASP2 P42575 1/20 0.30
CASP7 P55210 1/20 0.30
CASP6 P55212 1/20 0.30
CASP8 Q14790 1/20 0.30
GAA P10253 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30
CLK2 P49760 1/20 0.30
GSK3A P49840 1/20 0.30
GSK3B P49841 1/20 0.30
STK33 Q9BYT3 1/20 0.30
CLK4 Q9HAZ1 1/20 0.30
TLK1 Q9UKI8 1/20 0.30

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
SCHEMBL9177042 0.76 IDO1 (0.31)
SCHEMBL6181572 0.76 MEN1 (0.38) GAA
SCHEMBL28458258 0.75 APP (0.36)
SCHEMBL6181240 0.74 COMT (0.40)
SCHEMBL9172538 0.74 IDO1 (0.30)
SCHEMBL9174630 0.73 CASP3 (0.39) CASP3GAARXFP1
SCHEMBL9915464 0.72 CYP1A1 (0.30)
SCHEMBL14136918 0.70
SCHEMBL8599835 0.69 MAOA (0.54) STK10SLKMAOAMAOBCASP3
SCHEMBL10430344 0.68 CASP3 (0.42) CASP3CASP2CASP7CASP6CASP8

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0435333-B1 Cephalosporin derivatives, the process for preparing the same, and antimicrobial composition containing the derivatives OTSUKA PHARMA CO LTD (JP) 1996-06-05 EP disclosed
US-5262411-A Isocephem derivatives, and antimicrobial composition containing the derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-11-16 US disclosed
EP-0435333-A2 Cephalosporin derivatives, the process for preparing the same, and antimicrobial composition containing the derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-07-03 EP disclosed