SCHEMBL4649342

SCHEMBL4649342

O=C1OCC2CCC(CC2)COC(=O)c2cccc1c2

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.36
GABRA1 P14867 2/20 0.32
GABRB2 P47870 1/20 0.32
NOTUM Q6P988 1/20 0.32
KMT2A Q03164 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
BCHE P06276 1/20 0.30
ACHE P22303 1/20 0.30

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
SCHEMBL28796146 0.88 NPC1 (0.30) NPC1NOTUM
SCHEMBL45095 0.85 KMT2A (0.30) KMT2A
SCHEMBL8906132 0.84 GSTP1 (0.38) GABRA1NOTUMGABRG2GABRB3
Ethylene Glycol SCHEMBL6034298 0.76 POLB (0.30)
SCHEMBL39798 0.75 PTGS2 (0.40) KMT2A
SCHEMBL14067104 0.75 ITGB2 (0.38) NPC1KMT2A
SCHEMBL102784 0.75 ITGB2 (0.38) NPC1KMT2A
SCHEMBL2111856 0.75 MAOA (0.37) NPC1
SCHEMBL7783365 0.73 NPC1 (0.33) NPC1
SCHEMBL850248 0.73

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-1401910-A1 COPOLYESTERS AND POLYMERIZATION OF MACROCYCLIC OLIGOESTERS Cyclics Corporation (US) 2004-03-31 EP claimed
WO-2002098946-A1 COPOLYESTERS AND POLYMERIZATION OF MACROCYCLIC OLIGOESTERS CYCLICS CORPORATION (US) 2002-12-12 WO claimed
CN-111840319-A Bioceramic compositions and bioregulatory uses thereof 复合能源技术有限公司 2020-10-30 CN disclosed
CN-106488785-B Bioceramic compositions and bioregulatory uses thereof 复合能源技术有限公司 2020-08-25 CN disclosed
EP-2013260-B1 PROCESS FOR THE PREPARATION OF POLYESTERS CONTAINING 1,4-CYCLOHEXANEDIMETHANOL EASTMAN CHEM CO (US) 2016-04-06 EP disclosed
US-8653192-B2 Method for manufacturing a polyester composition having improved impact properties ARKEMA FRANCE (FR) 2014-02-18 US disclosed
US-20120271004-A1 METHOD FOR MANUFACTURING A POLYESTER COMPOSITION HAVING IMPROVED IMPACT PROPERTIES ARKEMA FRANCE (FR) 2012-10-25 US disclosed
EP-1401910-B1 COPOLYESTERS AND POLYMERIZATION OF MACROCYCLIC OLIGOESTERS CYCLICS CORP (US) 2008-08-27 EP disclosed
US-20070255020-A1 Process for the preparation of polyesters containing 1,4-cyclohexanedimethanol MARTIN DANIEL LEE 2007-11-01 US disclosed
US-7211634-B1 Process for the preparation of polyesters containing 1,4-cyclohexanedimethanol EASTMAN CHEMICAL COMPANY (US) 2007-05-01 US disclosed
EP-1401910-A1 COPOLYESTERS AND POLYMERIZATION OF MACROCYCLIC OLIGOESTERS Cyclics Corporation (US) 2004-03-31 EP disclosed
WO-2002098946-A1 COPOLYESTERS AND POLYMERIZATION OF MACROCYCLIC OLIGOESTERS CYCLICS CORPORATION (US) 2002-12-12 WO disclosed
US-4217426-A Polyester/low-viscosity polyethylene melt blends for powder adhesives or powder coating materials EASTMAN KODAK COMPANY (US) 1980-08-12 US disclosed
US-4155952-A Polyester/low-viscosity polyethylene melt blends for powder adhesives or powder coating materials and process for making same EASTMAN KODAK COMPANY (US) 1979-05-22 US disclosed