SCHEMBL1333648

SCHEMBL1333648

CCCCCCc1cc(C(=O)OCC)ccc1C(=O)OCC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.49
NOD2 Q9HC29 1/20 0.49
CA12 O43570 3/20 0.49
CA1 P00915 3/20 0.49
CA2 P00918 3/20 0.49
CA7 P43166 3/20 0.49
CA9 Q16790 3/20 0.49
CA14 Q9ULX7 3/20 0.49
TSHR P16473 4/20 0.47
ALDH1A1 P00352 3/20 0.47
MAPK1 P28482 2/20 0.47
ESR1 P03372 2/20 0.45
ESR2 Q92731 1/20 0.45
CYP4F2 P78329 1/20 0.45
CYP4A11 Q02928 1/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
MAPT P10636 1/20 0.44
HSD17B2 P37059 1/20 0.44
LMNA P02545 2/20 0.44

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
SCHEMBL27968722 1.00 KDM4E (0.49) KDM4ENOD2CA12CA1CA2
SCHEMBL28827999 0.95 ALDH1A1 (0.54) KDM4ETSHRALDH1A1MAPK1ESR1
SCHEMBL27968720 0.95 ALDH1A1 (0.54) KDM4ETSHRALDH1A1MAPK1ESR1
SCHEMBL5072220 0.92 RARB (0.48) KDM4ENOD2TSHRALDH1A1MAPT
SCHEMBL27654391 0.90 ALDH1A1 (0.50) KDM4ETSHRALDH1A1MAPK1ESR1
SCHEMBL27971978 0.90 ALDH1A1 (0.57) KDM4ETSHRALDH1A1MAPK1ESR1
SCHEMBL18817715 0.90 ALDH1A1 (0.57) KDM4ETSHRALDH1A1MAPK1ESR1
SCHEMBL27971977 0.90 ALDH1A1 (0.57) KDM4ETSHRALDH1A1MAPK1ESR1
SCHEMBL28982972 0.90 ALDH1A1 (0.57) KDM4ETSHRALDH1A1MAPK1ESR1
SCHEMBL127366 0.86 CA12 (0.59) KDM4ENOD2CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210205173-A1 Blood Storage Containers Made of Polyvinyl Chloride and Mixed Plasticizers FENWAL INC (US) 2021-07-08 US claimed
EP-3744775-A1 BLOOD STORAGE CONTAINERS MADE OF POLYVINYL CHLORIDE AND MIXED PLASTICIZERS Fenwal, Inc. (US) 2020-12-02 EP claimed
US-20110281987-A1 Polymer Compositions Comprising Terephthalates EXXONMOBIL CHEMICAL PATENTS INC. 2011-11-17 US claimed
EP-2358801-A1 POLYMER COMPOSITIONS COMPRISING TEREPHTHALATES ExxonMobil Chemical Patents Inc. (US) 2011-08-24 EP claimed
WO-2010071717-A1 POLYMER COMPOSITIONS COMPRISING TEREPHTHALATES EXXONMOBIL CHEMICAL PATENTS INC. (US) 2010-06-24 WO claimed
CN-110646547-B Method for simultaneously determining di (2-ethyl) hexyl ortho-, meta-and terephthalate in food simulant 台州科技职业学院 2022-06-03 CN disclosed
CN-110646547-B Method for simultaneously determining di (2-ethyl) hexyl ortho-, meta-and terephthalate in food simulant 台州科技职业学院 2022-06-03 CN disclosed
US-20210205173-A1 Blood Storage Containers Made of Polyvinyl Chloride and Mixed Plasticizers FENWAL INC (US) 2021-07-08 US disclosed
EP-3744775-A1 BLOOD STORAGE CONTAINERS MADE OF POLYVINYL CHLORIDE AND MIXED PLASTICIZERS Fenwal, Inc. (US) 2020-12-02 EP disclosed
CN-110646547-A Method for simultaneously measuring di (2-ethyl) hexyl ortho-, meta-and terephthalate in food simulant 台州科技职业学院 2020-01-03 CN disclosed
CN-110646547-A Method for simultaneously measuring di (2-ethyl) hexyl ortho-, meta-and terephthalate in food simulant 台州科技职业学院 2020-01-03 CN disclosed
CN-103221467-B Diisononyl terephthalate (DINT) as softener for thermoplastic applications EVONIK DEGUSSA GMBH 2015-05-20 CN disclosed
CN-103221467-A Diisononyl terephthalate (DINT) as softener for thermoplastic applications EVONIK OXENO GMBH 2013-07-24 CN disclosed