SCHEMBL7729786

SCHEMBL7729786

CCOC(=O)N1C(=O)[C@H](OC(C)OCC)[C@@H]1c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.47
KDM4E B2RXH2 3/20 0.40
GAA P10253 2/20 0.40
TSHR P16473 4/20 0.40
MAPT P10636 2/20 0.37
HPGD P15428 2/20 0.37
MEN1 O00255 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 3/20 0.37
LMNA P02545 1/20 0.37
TRPC5 Q9UL62 1/20 0.37
POLB P06746 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
BRD4 O60885 1/20 0.36
THRB P10828 1/20 0.36
PIN1 Q13526 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
ALOX12 P18054 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
SCHEMBL7732143 0.92 ELANE (0.43) ELANE
SCHEMBL5964086 0.92 ELANE (0.49) ELANEKDM4EGAATSHRMEN1
SCHEMBL5963703 0.91 ELANE (0.42) ELANEKDM4EGAATSHRHPGD
SCHEMBL28495663 0.90 ELANE (0.49) ELANEKDM4EGAATSHRMEN1
SCHEMBL5963529 0.90 ELANE (0.44) ELANEKDM4EGAATSHRMEN1
SCHEMBL9286553 0.89 ELANE (0.43) ELANE
SCHEMBL28379112 0.89 ELANE (0.43) ELANE
SCHEMBL3784269 0.89 ELANE (0.43) ELANE
SCHEMBL5887440 0.87 ELANE (0.46) ELANETSHRMEN1KMT2AALDH1A1
SCHEMBL5887434 0.87 ELANE (0.46) ELANETSHRMEN1KMT2AALDH1A1

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-6218553-B1 METALLIZATION BY REACTING A BACCATIN III DERIVATIVE WITH A METAL ALKYLDISILAZIDE THE STATE UNIVERSITY OF NEW YORK AT STONY BROOK 2001-04-17 US 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
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
EP-0681568-A1 PROCESS FOR PREPARATION OF TAXANE DERIVATIVES AND $g(b)-LACTAM INTERMEDIATES THEREFOR THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1995-11-15 EP disclosed
WO-1994018164-A1 PROCESS FOR PREPARATION OF TAXANE DERIVATIVES AND β-LACTAM INTERMEDIATES THEREFOR THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1994-08-18 WO disclosed