SCHEMBL3465744

SCHEMBL3465744

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

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ESRRG P62508 4/20 0.47
TRPV1 Q8NER1 4/20 0.37
NPC1 O15118 1/20 0.34
POLB P06746 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
MCOLN3 Q8TDD5 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.34

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
SCHEMBL3465734 0.91 ESRRG (0.48) ESRRGTRPV1RAB9AKMT2A
SCHEMBL4441792 0.78 ESRRG (0.57) ESRRGNPC1POLBRAB9AKMT2A
SCHEMBL4431311 0.75 ESRRG (0.53) ESRRGTRPV1NPC1RAB9AKMT2A
SCHEMBL4432919 0.75 ESRRG (0.53) ESRRGNPC1POLBRAB9AKMT2A
SCHEMBL4435971 0.74 ESRRG (0.53) ESRRGNPC1POLBRAB9AKMT2A
SCHEMBL3465737 0.74 TRPV1 (0.47) TRPV1
SCHEMBL3467245 0.74 TRPV1 (0.47) TRPV1
SCHEMBL4428485 0.74 ESRRG (0.46) ESRRGNPC1POLBRAB9AKMT2A
SCHEMBL3465742 0.73 TRPV1 (0.67) TRPV1
SCHEMBL4432676 0.73 ESRRG (0.50) ESRRGNPC1POLBRAB9AKMT2A

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 4 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-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