SCHEMBL4439018

SCHEMBL4439018

CC(C)(C)c1ccc(CCC(CNC(=O)c2ccccc2O)c2ccc3oc(=S)[nH]c3c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESRRG P62508 12/20 0.52
ESRRB O95718 5/20 0.39
NPC1 O15118 3/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HSD17B10 Q99714 1/20 0.35
NLRP1 Q9C000 1/20 0.35
RAB9A P51151 2/20 0.35
CDK4 P11802 1/20 0.35
CCND1 P24385 1/20 0.35
ADCY6 O43306 1/20 0.34
ADCY3 O60266 1/20 0.34
ADCY9 O60503 1/20 0.34
ADCY5 O95622 1/20 0.34
ADCY8 P40145 1/20 0.34
GCGR P47871 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
SCHEMBL4431299 0.93 ESRRG (0.52) ESRRGESRRBNPC1ALDH1A1MAPT
SCHEMBL4435971 0.86 ESRRG (0.53) ESRRGESRRBNPC1ALDH1A1MAPT
SCHEMBL4432676 0.84 ESRRG (0.50) ESRRGESRRBNPC1ALDH1A1MAPT
SCHEMBL4432919 0.84 ESRRG (0.53) ESRRGESRRBNPC1ALDH1A1MAPT
SCHEMBL4441792 0.80 ESRRG (0.57) ESRRGESRRBNPC1ALDH1A1MAPT
SCHEMBL4431311 0.79 ESRRG (0.53) ESRRGESRRBNPC1ALDH1A1MAPT
SCHEMBL4434323 0.76 ESRRG (0.48) ESRRGESRRBNPC1RAB9APOLB
SCHEMBL4441800 0.76 ESRRG (0.48) ESRRGALDH1A1TSHRKMT2A
SCHEMBL4431844 0.76 ESRRG (0.48) ESRRGPOLBKMT2A
SCHEMBL3465734 0.75 ESRRG (0.48) ESRRGALDH1A1HTTRAB9AKMT2A

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