SCHEMBL216023

SCHEMBL216023

C=CCN(CC=C)c1cccc(OCC(=O)O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.51
ALOX15 P16050 2/20 0.49
PTPN7 P35236 1/20 0.45
KDM4E B2RXH2 4/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
ALDH1A1 P00352 2/20 0.45
ATM Q13315 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MAPK1 P28482 1/20 0.44
PPARA Q07869 2/20 0.43
PPARG P37231 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SYK P43405 1/20 0.42
THRB P10828 1/20 0.42
PLA2G4B P0C869 1/20 0.41
PKM P14618 1/20 0.40
HTT P42858 1/20 0.40
TSHR P16473 1/20 0.39

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
SCHEMBL215048 0.81 ALDH1A1 (0.60) LMNAALOX15PTPN7KDM4EMEN1
SCHEMBL7996336 0.80 LMNA (0.63) LMNAALOX15PTPN7KDM4EMEN1
SCHEMBL29955055 0.80 LMNA (0.63) LMNAALOX15PTPN7KDM4EMEN1
SCHEMBL7334512 0.80 ESR1 (0.55) LMNAALOX15KDM4EMEN1KMT2A
SCHEMBL214282 0.78 CRHBP (0.55) LMNAALOX15PTPN7MAPK1PPARA
SCHEMBL6445977 0.78 KMT2A (0.47) KDM4EMEN1KMT2AALDH1A1ATM
SCHEMBL413254 0.76 LMNA (0.81) LMNAALOX15PTPN7KDM4EMEN1
SCHEMBL23142738 0.75 KDM4E (0.46) KDM4EMEN1KMT2AALDH1A1ATM
SCHEMBL29607044 0.75 KDM4E (0.46) KDM4EMEN1KMT2AALDH1A1ATM
SCHEMBL5830773 0.75 PPARA (0.56) LMNAALOX15PTPN7KDM4EMAPK1

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-2337820-B1 AZO DYES, A PROCESS FOR THE PREPARATION THEREOF AND THE USE THEREOF HUNTSMAN ADV MAT SWITZERLAND (CH) 2013-05-15 EP disclosed
US-8088182-B2 Azo dyes, a process for the preparation thereof and the use thereof HUNTSMAN INTERNATIONAL LLC (US) 2012-01-03 US disclosed
US-20110197377-A1 AZO DYES, A PROCESS FOR THE PREPARATION THEREOF AND THE USE THEREOF HUNTSMAN INTERNATIONAL LLC (US) 2011-08-18 US disclosed
EP-2337820-A2 AZO DYES, A PROCESS FOR THE PREPARATION THEREOF AND THE USE THEREOF Huntsman Advanced Materials (Switzerland) GmbH (CH) 2011-06-29 EP disclosed
WO-2010046192-A2 AZO DYES, A PROCESS FOR THE PREPARATION THEREOF AND THE USE THEREOF HUNTSMAN ADVANCED MATERIALS (SWITZERLAND) GMBH (CH) 2010-04-29 WO disclosed