SCHEMBL5963529

SCHEMBL5963529

CCOC(C)O[C@H]1C(=O)N(C(=O)Oc2ccccc2)[C@H]1c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.44
ABCB1 P08183 1/20 0.35
GAA P10253 3/20 0.34
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
CYP2D6 P10635 1/20 0.34
TSHR P16473 3/20 0.33
MGLL Q99685 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PABPC1 P11940 1/20 0.32
FFAR1 O14842 1/20 0.32
NPY2R P49146 1/20 0.32
USP2 O75604 1/20 0.32
TP53 P04637 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
SCHEMBL7729786 0.90 ELANE (0.47) ELANEGAATSHRKDM4EMEN1
SCHEMBL5964086 0.88 ELANE (0.49) ELANEABCB1GAATSHRKDM4E
SCHEMBL28495663 0.87 ELANE (0.49) ELANEGAAESR1ESR2TSHR
SCHEMBL9286553 0.85 ELANE (0.43) ELANEABCB1TP53
SCHEMBL3784269 0.85 ELANE (0.43) ELANEABCB1TP53
SCHEMBL28379112 0.85 ELANE (0.43) ELANEABCB1TP53
SCHEMBL7732143 0.84 ELANE (0.43) ELANETP53
SCHEMBL1134975 0.84 ELANE (0.46) ELANETSHRMEN1KMT2A
SCHEMBL7732985 0.84 ELANE (0.46) ELANEGAATSHRKDM4EMEN1
SCHEMBL5887440 0.84 ELANE (0.46) ELANETSHRMEN1KMT2A

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 5 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
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