SCHEMBL5963742

SCHEMBL5963742

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

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ELANE P08246 3/20 0.44
HCRTR2 O43614 4/20 0.34
TDP1 Q9NUW8 1/20 0.34
TSHR P16473 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 2/20 0.32
GAA P10253 2/20 0.32
KDM4E B2RXH2 1/20 0.32
THRB P10828 1/20 0.32
HPGD P15428 1/20 0.32
BCHE P06276 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL8952673 0.90 ELANE (0.46) ELANESMN1; SMN2KDM4E
SCHEMBL8952668 0.90 ELANE (0.46) ELANESMN1; SMN2KDM4E
SCHEMBL5963210 0.90 ELANE (0.46) ELANESMN1; SMN2KDM4E
SCHEMBL8952682 0.90 ELANE (0.46) ELANESMN1; SMN2KDM4E
SCHEMBL5964258 0.88 ELANE (0.43) ELANETDP1SMN1; SMN2ALDH1A1MAPT
SCHEMBL5963634 0.88 ELANE (0.43) ELANETSHRSMN1; SMN2ALDH1A1GAA
SCHEMBL7984168 0.88 ELANE (0.43) ELANETSHRSMN1; SMN2ALDH1A1GAA
SCHEMBL28495663 0.87 ELANE (0.49) ELANETSHRSMN1; SMN2GAAKDM4E
SCHEMBL5964086 0.86 ELANE (0.49) ELANETSHRSMN1; SMN2ALDH1A1GAA
SCHEMBL5963508 0.85 ELANE (0.41) ELANETSHRALDH1A1

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