SCHEMBL1398503

SCHEMBL1398503

N#Cc1cc(C(=O)O)ccc1-c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.55
XDH P47989 1/20 0.51
TTR P02766 1/20 0.47
ALDH1A1 P00352 1/20 0.47
PTPRC P08575 2/20 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
SCHEMBL28571512 0.91 XDH (0.48) GRM5XDHALDH1A1
Trifluoroacetic Acid SCHEMBL3107487 0.91 GRM5 (0.49) GRM5XDH
SCHEMBL28343052 0.87 ALDH1A1 (0.50) GRM5XDHTTRALDH1A1PTPRC
SCHEMBL22411134 0.87 GRM5 (0.53) GRM5XDH
SCHEMBL14114868 0.86 TTR (0.51) GRM5TTRALDH1A1PTPRC
SCHEMBL22861578 0.85 XDH (0.55) GRM5XDH
SCHEMBL8176629 0.85 GRM5 (0.49) GRM5XDHALDH1A1
SCHEMBL25598322 0.85 GRM5 (0.52) GRM5XDH
SCHEMBL14226719 0.83 GRM5 (0.53) GRM5XDHALDH1A1
SCHEMBL404224 0.83 EGFR (0.57) GRM5XDH

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114773249-B Compounds, pharmaceutical compositions and methods for treating inflammatory diseases 艾匹克治疗公司 2024-08-16 CN disclosed
CN-114773249-A Compounds, pharmaceutical compositions and methods for treating inflammatory diseases 艾匹克治疗公司 2022-07-22 CN disclosed
CN-106674051-A Preparation method for 3-cyano-4-isopropoxy phenyl benzoate 苏州山青竹生物医药有限公司 2017-05-17 CN disclosed
US-8324254-B2 Oxadiazole substituted indazole derivatives for use as sphingosine 1-phosphate (S1P) agonists GLAXO GROUP LIMITED (GB) 2012-12-04 US disclosed
US-8324254-B2 Oxadiazole substituted indazole derivatives for use as sphingosine 1-phosphate (S1P) agonists GLAXO GROUP LIMITED (GB) 2012-12-04 US disclosed
US-8324254-B2 Oxadiazole substituted indazole derivatives for use as sphingosine 1-phosphate (S1P) agonists GLAXO GROUP LIMITED (GB) 2012-12-04 US disclosed
EP-2206710-B1 Indole derivatives as S1P1 receptor agonists GLAXO GROUP LTD (GB) 2012-07-04 EP disclosed
EP-2206710-B1 Indole derivatives as S1P1 receptor agonists GLAXO GROUP LTD (GB) 2012-07-04 EP disclosed
US-8101775-B2 Indole derivatives as S1P1 Receptor GLAXO GROUP LIMITED (GB) 2012-01-24 US disclosed
US-8101775-B2 Indole derivatives as S1P1 Receptor GLAXO GROUP LIMITED (GB) 2012-01-24 US disclosed
WO-2008128951-A1 OXADIAZOLE SUBSTITUTED INDAZOLE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE (S1P) AGONISTS GLAXO GROUP LIMITED (GB) 2008-10-30 WO disclosed
WO-2008128951-A1 OXADIAZOLE SUBSTITUTED INDAZOLE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE (S1P) AGONISTS GLAXO GROUP LIMITED (GB) 2008-10-30 WO disclosed
US-20080191170-A1 Use of Ionic Liquids CAMBRIDGE UNIVERSITY TECHNICAL SERVICES LIMITED (GB) 2008-08-14 US disclosed
WO-2008092072-A2 MODULATORS OF THE METABOTROPIC GLUTAMATE RECEPTOR SUBTYPE 5 AND USES THEREOF GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2008-07-31 WO disclosed
WO-2008074821-A1 INDOLE DERIVATIVES AS S1P1 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2008-06-26 WO disclosed
WO-2008074821-A1 INDOLE DERIVATIVES AS S1P1 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2008-06-26 WO disclosed
EP-1804969-A2 USE OF IONIC LIQUIDS CAMBRIDGE UNIVERSITY TECHNICAL SERVICES LIMITED (GB) 2007-07-11 EP disclosed
WO-2006038013-A2 USE OF IONIC LIQUIDS CAMBRIDGE UNIVERSITY TECHNICAL SERVICES LIMITED (GB) 2006-04-13 WO disclosed
EP-1218336-A2 MELANIN CONCENTRATING HORMONE ANTAGONIST Takeda Chemical Industries, Ltd. (JP) 2002-07-03 EP disclosed
WO-2001021577-A2 MELANIN CONCENTRATING HORMONE ANTAGONIST TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-03-29 WO disclosed