SCHEMBL7732985

SCHEMBL7732985

CCOC(C)O[C@H]1C(=O)N(C(=O)N(C)C)[C@H]1c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.46
TSHR P16473 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
NPY5R Q15761 1/20 0.32
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
KIF11 P52732 1/20 0.32
TRPC5 Q9UL62 1/20 0.32
CACNA1F O60840 1/20 0.32
CACNA1D Q01668 1/20 0.32
CACNA1S Q13698 1/20 0.32
CACNA1C Q13936 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL28495663 0.89 ELANE (0.49) ELANETSHRSMN1; SMN2NPSR1MEN1
SCHEMBL7729786 0.87 ELANE (0.47) ELANETSHRMEN1KMT2AKDM4E
SCHEMBL5964086 0.86 ELANE (0.49) ELANETSHRSMN1; SMN2NPSR1MEN1
SCHEMBL5887440 0.86 ELANE (0.46) ELANETSHRSMN1; SMN2NPSR1MEN1
SCHEMBL5887434 0.86 ELANE (0.46) ELANETSHRSMN1; SMN2NPSR1MEN1
SCHEMBL1134975 0.86 ELANE (0.46) ELANETSHRSMN1; SMN2NPSR1MEN1
SCHEMBL7778743 0.85 ELANE (0.45) ELANETSHRSMN1; SMN2NPSR1MEN1
SCHEMBL5963742 0.84 ELANE (0.44) ELANETSHRSMN1; SMN2KDM4EGAA
SCHEMBL7772609 0.84 ELANE (0.47) ELANETSHRSMN1; SMN2NPSR1MEN1
SCHEMBL5963529 0.84 ELANE (0.44) ELANETSHRMEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0690856-B1 ANTI-TUMOR COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, METHODS FOR PREPARATION THEREOF AND FOR TREATMENT UNIV NEW YORK STATE RES FOUND (US) 2002-12-04 EP disclosed
US-5705508-A FORMING TAXOL DERIVATIVES THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1998-01-06 US disclosed
US-5599820-A Anti-tumor compounds, pharmaceutical compositions, methods for preparation thereof and for treatment THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1997-02-04 US disclosed
EP-0690856-A4 UNIV NEW YORK (US) 1996-02-07 EP disclosed
EP-0690856-A1 ANTI-TUMOR COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, METHODS FOR PREPARATION THEREOF AND FOR TREATMENT THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1996-01-10 EP disclosed
US-5475011-A Anti-tumor compounds, pharmaceutical compositions, methods for preparation thereof and for treatment THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1995-12-12 US disclosed
WO-1994022856-A1 ANTI-TUMOR COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, METHODS FOR PREPARATION THEREOF AND FOR TREATMENT THE RESEARCH FOUNDATION OF THE STATE UNIVERSITY OF NEW YORK (US) 1994-10-13 WO disclosed