SCHEMBL5963210

SCHEMBL5963210

CCOC(C)O[C@H]1C(=O)N(C(=O)NCc2ccccc2)[C@H]1c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ELANE P08246 7/20 0.46
ITGB1 P05556 1/20 0.41
ITGA5 P08648 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 1/20 0.38
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
SLC1A2 P43004 1/20 0.37

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
SCHEMBL8952668 1.00 ELANE (0.46) ELANEITGB1ITGA5SMN1; SMN2KDM4E
SCHEMBL8952682 1.00 ELANE (0.46) ELANEITGB1ITGA5SMN1; SMN2KDM4E
SCHEMBL8952673 1.00 ELANE (0.46) ELANEITGB1ITGA5SMN1; SMN2KDM4E
SCHEMBL5963742 0.90 ELANE (0.44) ELANESMN1; SMN2KDM4E
SCHEMBL5964258 0.85 ELANE (0.43) ELANESMN1; SMN2
SCHEMBL5963634 0.85 ELANE (0.43) ELANESMN1; SMN2
SCHEMBL7984168 0.85 ELANE (0.43) ELANESMN1; SMN2
SCHEMBL28495663 0.84 ELANE (0.49) ELANESMN1; SMN2KDM4E
SCHEMBL5964086 0.83 ELANE (0.49) ELANESMN1; SMN2KDM4E
SCHEMBL5963508 0.82 ELANE (0.41) ELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0681568-B1 PROCESS FOR PREPARATION OF TAXANE DERIVATIVES AND BETA-LACTAM INTERMEDIATES THEREFOR UNIV NEW YORK STATE RES FOUND (US) 2006-07-26 EP disclosed
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-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-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