SCHEMBL5963634

SCHEMBL5963634

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.43
RIPK1 Q13546 3/20 0.34
RORC P51449 1/20 0.34
KDM1A O60341 1/20 0.33
TSHR P16473 2/20 0.32
GAA P10253 2/20 0.32
P2RX4 Q99571 1/20 0.32
NPC1 O15118 1/20 0.32
BCHE P06276 1/20 0.32
MDM2 Q00987 2/20 0.31
CCKBR P32239 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
NPSR1 Q6W5P4 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
MAPT P10636 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
SCHEMBL7984168 1.00 ELANE (0.43) ELANERIPK1RORCKDM1ATSHR
SCHEMBL5963742 0.88 ELANE (0.44) ELANETSHRGAABCHESMN1; SMN2
SCHEMBL5964258 0.87 ELANE (0.43) ELANENPC1CCKBRSMN1; SMN2MAPT
SCHEMBL28495663 0.86 ELANE (0.49) ELANERIPK1TSHRGAAMDM2
SCHEMBL5964086 0.85 ELANE (0.49) ELANETSHRGAAMEN1KMT2A
SCHEMBL8952682 0.85 ELANE (0.46) ELANESMN1; SMN2
SCHEMBL8952673 0.85 ELANE (0.46) ELANESMN1; SMN2
SCHEMBL5963210 0.85 ELANE (0.46) ELANESMN1; SMN2
SCHEMBL8952668 0.85 ELANE (0.46) ELANESMN1; SMN2
SCHEMBL28379112 0.84 ELANE (0.43) ELANERIPK1RORCMDM2TP53

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 4 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