SCHEMBL536475

SCHEMBL536475

CCC1(C)CC(C(CCCCCCCC(=O)O)(C(=O)O)C2CC(C)(CC)NC(C)(CC)C2(C)C)C(C)(C)C(C)(CC)N1

nearest known ligand 0.31

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 7/20 0.31
PPARG P37231 7/20 0.31
PPARD Q03181 7/20 0.31
PPARA Q07869 7/20 0.31
HDAC11 Q96DB2 5/20 0.31
TSHR P16473 4/20 0.31
PTPN1 P18031 3/20 0.31
ALDH1A1 P00352 2/20 0.31
TLR2 O60603 2/20 0.31
TDP1 Q9NUW8 2/20 0.31
FABP4 P15090 2/20 0.31
SLC22A6 Q4U2R8 1/20 0.31
SLC22A8 Q8TCC7 1/20 0.31
MEN1 O00255 1/20 0.31
ESR1 P03372 1/20 0.31
ALOX15 P16050 1/20 0.31
PDE4A P27815 1/20 0.31
KMT2A Q03164 1/20 0.31
PDE3A Q14432 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL11533653 0.75 FFAR4 (0.31) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL11621942 0.75 FFAR4 (0.31) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL1702639 0.73 NAAA (0.37) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL76391 0.73 GPR84 (0.37) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL16670402 0.73 TSHR (0.32) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL431527 0.72 GAA (0.38) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL35143 0.72 GAA (0.38) GPR84PPARGPPARDPPARAHDAC11
Sebacic Acid SCHEMBL28872453 0.72 GAA (0.38) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL9577728 0.72 GAA (0.38) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL434149 0.72 GAA (0.38) GPR84PPARGPPARDPPARAHDAC11

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2831161-A1 FUNGICIDE FORMULATIONS FOR PLASTICIZED PVC Lanxess Deutschland GmbH (DE) 2015-02-04 EP disclosed
EP-2831160-A1 STABLE COMPOSITIONS OF THIABENDAZOLE AND IODINE-CONTAINING FUNGICIDES Lanxess Deutschland GmbH (DE) 2015-02-04 EP disclosed
WO-2013144145-A1 STABLE COMPOSITIONS OF THIABENDAZOLE AND IODINE-CONTAINING FUNGICIDES LANXESS DEUTSCHLAND GMBH (DE) 2013-10-03 WO disclosed
WO-2013144147-A1 FUNGICIDE FORMULATIONS FOR PLASTICIZED PVC LANXESS DEUTSCHLAND GMBH (DE) 2013-10-03 WO disclosed
EP-2449016-A1 POLYMERS CONTAINING HETEROCYCLIC 3-RING COMPOUNDS AND IODINE-CONTAINING COMPOUNDS Lanxess Deutschland GmbH (DE) 2012-05-09 EP disclosed
EP-2440044-A2 INORGANIC CARRIER MATERIALS CONTAINING NITROGEN Lanxess Deutschland GmbH (DE) 2012-04-18 EP disclosed
EP-2413697-A1 STABILIZATION OF COMPOUNDS COMPRISING IODINE LANXESS Deutschland GmbH (DE) 2012-02-08 EP disclosed
WO-2011000794-A1 POLYMERS CONTAINING HETEROCYCLIC 3-RING COMPOUNDS AND IODINE-CONTAINING COMPOUNDS LANXESS DEUTSCHLAND GMBH (DE) 2011-01-06 WO disclosed
WO-2010142795-A2 INORGANIC CARRIER MATERIALS CONTAINING NITROGEN LANXESS DEUTSCHLAND GMBH (DE) 2010-12-16 WO disclosed
WO-2010112387-A1 STABILIZATION OF COMPOUNDS COMPRISING IODINE LANXESS DEUTSCHLAND GMBH (DE) 2010-10-07 WO disclosed
EP-1993362-A1 STABILIZATION OF IODINE-CONTAINING BIOCIDES BY MEANS OF SPECIAL AZOLE COMPOUNDS Lanxess Deutschland GmbH & Co.KG (DE) 2008-11-26 EP disclosed
EP-1926367-A1 STABILIZATION OF IODINE BIOCIDES Lanxess Deutschland GmbH & Co.KG (DE) 2008-06-04 EP disclosed
WO-2007101549-A1 STABILIZATION OF IODINE-CONTAINING BIOCIDES BY MEANS OF SPECIAL AZOLE COMPOUNDS LANXESS DEUTSCHLAND GMBH (DE) 2007-09-13 WO disclosed
WO-2007028527-A1 STABILIZATION OF IODINE BIOCIDES LANXESS DEUTSCHLAND GMBH (DE) 2007-03-15 WO disclosed