SCHEMBL6022117

SCHEMBL6022117

[CH2]c1ccc(C(=O)NCc2c(CCCC)oc3ccccc23)cc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 7/20 0.51
EYA3 Q99504 2/20 0.51
SIRT3 Q9NTG7 5/20 0.46
TTR P02766 1/20 0.45
THRA P10827 1/20 0.42
THRB P10828 1/20 0.42
NR1H4 Q96RI1 1/20 0.42
KDM5A P29375 1/20 0.42
KDM7A Q6ZMT4 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41

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
SCHEMBL5044450 0.82 MAPK14 (0.47) PTPN1EYA3SIRT3NR1H4HDAC3
SCHEMBL1860426 0.79 HDAC3 (0.50) PTPN1EYA3SIRT3NR1H4HDAC3
SCHEMBL5044446 0.77 PPARG (0.45) PTPN1EYA3
SCHEMBL1851704 0.77 LSS (0.46) PTPN1EYA3NR1H4HDAC3HDAC1
SCHEMBL1855758 0.75 LSS (0.44) PTPN1EYA3NR1H4
SCHEMBL31314643 0.75 EYA3 (0.72) PTPN1EYA3SIRT3TTRTHRA
SCHEMBL5040035 0.74 TMEM97 (0.48) PTPN1EYA3SIRT3THRATHRB
SCHEMBL8810393 0.72 PTPN1 (0.61) PTPN1EYA3TTRTHRATHRB
Acetic Acid SCHEMBL27738439 0.72 TMEM97 (0.48) PTPN1EYA3SIRT3NR1H4HDAC3
Hydrochloric Acid SCHEMBL8732680 0.71 PTPN1 (0.60) PTPN1EYA3TTRTHRATHRB

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
CN-1933827-A Use of methylene amide derivatives in cardiovascular disorders APPLIED RESEARCH SYSTEMS (AN) 2007-03-21 CN claimed
EP-1732534-A1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS Applied Research Systems ARS Holding N.V. (AN) 2006-12-20 EP claimed
WO-2005082347-A1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS APLLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2005-09-09 WO claimed
CN-1933827-B Use of methylene amide derivatives in preparing medicine for treating and/ or preventing heart failure SERONO LAB 2011-07-27 CN disclosed
CN-1933827-A Use of methylene amide derivatives in cardiovascular disorders APPLIED RESEARCH SYSTEMS (AN) 2007-03-21 CN disclosed