SCHEMBL3465734

SCHEMBL3465734

CN(c1ccc(C(CCc2ccc(C(C)(C)C)cc2)CNC(=O)c2ccccc2O)cc1F)S(C)(=O)=O

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ESRRG P62508 3/20 0.48
ALDH1A1 P00352 2/20 0.38
TRPV1 Q8NER1 3/20 0.38
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL3465744 0.91 ESRRG (0.47) ESRRGTRPV1KMT2ARAB9A
SCHEMBL3465737 0.82 TRPV1 (0.47) TRPV1
SCHEMBL3467245 0.82 TRPV1 (0.47) TRPV1
SCHEMBL4441792 0.79 ESRRG (0.57) ESRRGALDH1A1KMT2AHTTRAB9A
SCHEMBL3465559 0.78 TRPV1 (0.47) TRPV1
SCHEMBL4432919 0.76 ESRRG (0.53) ESRRGALDH1A1KMT2AHTTRAB9A
SCHEMBL4431311 0.76 ESRRG (0.53) ESRRGALDH1A1TRPV1KMT2AMEN1
SCHEMBL4435971 0.76 ESRRG (0.53) ESRRGALDH1A1KMT2AHTTRAB9A
SCHEMBL4428485 0.75 ESRRG (0.46) ESRRGALDH1A1KMT2AMEN1MAPK1
SCHEMBL4439018 0.75 ESRRG (0.52) ESRRGALDH1A1KMT2AHTTRAB9A

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-2146959-A1 VANILLOID RECEPTOR LIGANDS AND THE USE THEREOF FOR THE PRODUCTION OF PHARMACEUTICALS Grünenthal GmbH (DE) 2010-01-27 EP claimed
WO-2008125296-A1 VANILLOID RECEPTOR LIGANDS AND THE USE THEREOF FOR THE PRODUCTION OF PHARMACEUTICALS Grünenthal GmbH (DE) 2008-10-23 WO claimed
EP-2146959-B1 VANILLOID RECEPTOR LIGANDS AND THE USE THEREOF FOR THE PRODUCTION OF PHARMACEUTICALS GRUENENTHAL GMBH (DE) 2013-06-19 EP disclosed
EP-2146959-A1 VANILLOID RECEPTOR LIGANDS AND THE USE THEREOF FOR THE PRODUCTION OF PHARMACEUTICALS Grünenthal GmbH (DE) 2010-01-27 EP disclosed
WO-2008125296-A1 VANILLOID RECEPTOR LIGANDS AND THE USE THEREOF FOR THE PRODUCTION OF PHARMACEUTICALS Grünenthal GmbH (DE) 2008-10-23 WO disclosed