SCHEMBL4428485

SCHEMBL4428485

CC(C)(C)c1ccc(CCC(CNC(=O)c2ccccc2O)c2ccc3nc(NS(C)(=O)=O)sc3c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESRRG P62508 1/20 0.46
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
LMNA P02545 2/20 0.38
MAP3K5 Q99683 1/20 0.38
HSD17B10 Q99714 3/20 0.37
MAPT P10636 3/20 0.37
POLB P06746 1/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KDR P35968 1/20 0.35
TEK Q02763 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPK1 P28482 1/20 0.35
PTGES O14684 1/20 0.35
ALOX5 P09917 1/20 0.35

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
SCHEMBL4441792 0.77 ESRRG (0.57) ESRRGNPC1RAB9AKMT2ALMNA
SCHEMBL3465734 0.75 ESRRG (0.48) ESRRGRAB9AMEN1KMT2AALDH1A1
SCHEMBL4431311 0.74 ESRRG (0.53) ESRRGNPC1RAB9AMEN1KMT2A
SCHEMBL4432919 0.74 ESRRG (0.53) ESRRGNPC1RAB9AKMT2AHSD17B10
SCHEMBL3465744 0.74 ESRRG (0.47) ESRRGNPC1RAB9AKMT2APOLB
SCHEMBL4142761 0.74 TRPV1 (0.62)
SCHEMBL4435971 0.73 ESRRG (0.53) ESRRGNPC1RAB9AKMT2AHSD17B10
SCHEMBL4432676 0.71 ESRRG (0.50) ESRRGNPC1RAB9AKMT2AHSD17B10
SCHEMBL4439018 0.71 ESRRG (0.52) ESRRGNPC1RAB9AKMT2AHSD17B10
SCHEMBL4431299 0.71 ESRRG (0.52) ESRRGNPC1RAB9AHSD17B10MAPT

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-2137178-A2 NOVEL VANILLOID RECEPTOR LIGANDS AND THE USE THEREOF FOR THE PRODUCTION OF PHARMACEUTICALS Grünenthal GmbH (DE) 2009-12-30 EP claimed
WO-2008125342-A2 NOVEL VANILLOID RECEPTOR LIGANDS AND THE USE THEREOF FOR THE PRODUCTION OF PHARMACEUTICALS Grünenthal GmbH (DE) 2008-10-23 WO claimed
EP-2137178-A2 NOVEL VANILLOID RECEPTOR LIGANDS AND THE USE THEREOF FOR THE PRODUCTION OF PHARMACEUTICALS Grünenthal GmbH (DE) 2009-12-30 EP disclosed
WO-2008125342-A2 NOVEL VANILLOID RECEPTOR LIGANDS AND THE USE THEREOF FOR THE PRODUCTION OF PHARMACEUTICALS Grünenthal GmbH (DE) 2008-10-23 WO disclosed