SCHEMBL3661413

SCHEMBL3661413

O=C1C=Cc2ccc(=O)ccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 2/20 0.45
IDO1 P14902 4/20 0.44
PTPRC P08575 4/20 0.44
MEN1 O00255 3/20 0.44
ALDH1A1 P00352 3/20 0.44
HPGD P15428 3/20 0.44
KMT2A Q03164 3/20 0.44
CES1 P23141 3/20 0.44
KDM4E B2RXH2 2/20 0.44
MAPT P10636 2/20 0.44
THRB P10828 2/20 0.44
ALOX15 P16050 2/20 0.44
RECQL P46063 2/20 0.44
HSD17B10 Q99714 2/20 0.44
LMNA P02545 2/20 0.44
BCHE P06276 1/20 0.44
POLB P06746 1/20 0.44
PKM P14618 1/20 0.44
PTPN1 P18031 1/20 0.44
ACHE P22303 1/20 0.44

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
SCHEMBL30051046 0.76 CDC25B (0.46) S100A4IDO1PTPRCMEN1ALDH1A1
SCHEMBL29409540 0.76 MEN1 (0.73) S100A4IDO1PTPRCMEN1ALDH1A1
SCHEMBL2627989 0.76 MEN1 (0.73) S100A4IDO1PTPRCMEN1ALDH1A1
SCHEMBL236503 0.76 CDC25B (0.46) S100A4IDO1PTPRCMEN1ALDH1A1
SCHEMBL1310003 0.76 CDC25B (0.46) S100A4IDO1PTPRCMEN1ALDH1A1
SCHEMBL28774125 0.74 MEN1 (0.70) S100A4IDO1PTPRCMEN1ALDH1A1
Bromide SCHEMBL31530716 0.74 MEN1 (0.70) S100A4IDO1PTPRCMEN1ALDH1A1
SCHEMBL31450384 0.74 MEN1 (0.70) S100A4IDO1PTPRCMEN1ALDH1A1
SCHEMBL13967835 0.69 CA1 (0.45) S100A4IDO1PTPRCMEN1ALDH1A1
SCHEMBL2896364 0.69 CA1 (0.45) S100A4IDO1PTPRCMEN1ALDH1A1

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-2535340-B1 Process for making zilpaterol and salts thereof INTERVET INT BV (NL) 2016-04-27 EP disclosed
EP-2142553-A1 PROCESSES FOR MAKING ZILPATEROL AND SALTS THEREOF Intervet International B.V. (NL) 2010-01-13 EP disclosed
WO-2008119754-A1 PROCESSES FOR MAKING ZILPATEROL AND SALTS THEREOF INTERVET INTERNATIONAL B.V. (NL) 2008-10-09 WO disclosed
EP-1208104-B1 TRICYCLIC INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASES AGOURON PHARMA (US) 2005-01-19 EP disclosed