SCHEMBL1781014

SCHEMBL1781014

CCCCN(CCCC)c1ccc(/C=C(/C#N)C(=O)OC)cc1

nearest known ligand 0.75

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 2/20 0.55
SLC16A1 P53985 2/20 0.55
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
ALDH1A1 P00352 4/20 0.54
MAPT P10636 3/20 0.54
POLB P06746 2/20 0.54
LMNA P02545 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
KDM4E B2RXH2 1/20 0.50
MAPK1 P28482 3/20 0.48
L3MBTL1 Q9Y468 3/20 0.48
TDP1 Q9NUW8 2/20 0.48
USP2 O75604 1/20 0.48
RECQL P46063 1/20 0.48
BLM P54132 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
PSMD14 O00487 1/20 0.47
APP P05067 1/20 0.46

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
SCHEMBL1781017 1.00 SLC16A3 (0.55) SLC16A3SLC16A1MEN1KMT2AALDH1A1
SCHEMBL1779263 0.87 MEN1 (0.71) MEN1KMT2AALDH1A1MAPTPOLB
SCHEMBL21457222 0.87 MEN1 (0.71) MEN1KMT2AALDH1A1MAPTPOLB
SCHEMBL1779264 0.87 MEN1 (0.71) MEN1KMT2AALDH1A1MAPTPOLB
SCHEMBL15371880 0.86 SLC16A3 (0.46) SLC16A3SLC16A1MEN1KMT2AALDH1A1
SCHEMBL9361350 0.86 SLC16A3 (0.64) SLC16A3SLC16A1MEN1KMT2AALDH1A1
SCHEMBL9361358 0.86 SLC16A3 (0.64) SLC16A3SLC16A1MEN1KMT2AALDH1A1
SCHEMBL22954004 0.86 SLC16A3 (0.64) SLC16A3SLC16A1MEN1KMT2AALDH1A1
SCHEMBL14703478 0.85 ALDH1A1 (0.49) SLC16A3SLC16A1MEN1KMT2AALDH1A1
SCHEMBL16231344 0.84 RAB9A (0.42) SLC16A3SLC16A1MEN1KMT2AALDH1A1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7517695-B2 Local flow and shear stress sensor based on molecular rotors THE CURATORS OF THE UNIVERSITY OF MISSOURI (US) 2009-04-14 US claimed
US-7943390-B2 Supported molecular biofluid viscosity sensors for in vitro and in vivo use THE CURATORS OF THE UNIVERSITY OF MISSOURI (US) 2011-05-17 US disclosed
US-7670844-B2 Supported molecular biofluid viscosity sensors for in vitro and in vivo use THE CURATORS OF THE UNIVERSITY OF MISSOURI (US) 2010-03-02 US disclosed
US-20090227880-A1 SUPPORTED MOLECULAR BIOFLUID VISCOSITY SENSORS FOR IN VITRO AND IN VIVO USE THE CURATORS OF THE UNIVERSITY OF MISSOURI (US) 2009-09-10 US disclosed
US-7517695-B2 Local flow and shear stress sensor based on molecular rotors THE CURATORS OF THE UNIVERSITY OF MISSOURI (US) 2009-04-14 US disclosed
US-20060084177-A1 Supported molecular biofluid viscosity sensors for in vitro and in vivo use THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2006-04-20 US disclosed
US-20060079001-A1 Local flow and shear stress sensor based on molecular rotors THE CURATORS OF THE UNIVERSITY OF MISSOURI 2006-04-13 US disclosed
WO-2005073697-A1 LOCAL FLOW AND SHEAR STRESS SENSOR BASED ON MOLECULAR ROTORS THE CURATORS OF THE UNIVERSITY OF MISSOURI (US) 2005-08-11 WO disclosed
WO-2005072216-A2 SUPPORTED MOLECULAR BIOFLUID VISCOSITY SENSORS FOR IN VITRO AND IN VIVO USE THE CURATORS OF THE UNIVERSITY OF MISSOURI (US) 2005-08-11 WO disclosed