SCHEMBL4336178

SCHEMBL4336178

CC(CO)OCC(C)OCC(C)OC(=O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
POLB P06746 1/20 0.48
SCN1A P35498 1/20 0.48
SCN2A Q99250 1/20 0.48
SCN3A Q9NY46 1/20 0.48
NPC1 O15118 2/20 0.47
TSHR P16473 2/20 0.46
TP53 P04637 1/20 0.46
PRKCA P17252 1/20 0.46
PDCD1 Q15116 1/20 0.45
CD274 Q9NZQ7 1/20 0.45
ALDH1A1 P00352 3/20 0.44
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ADRB2 P07550 1/20 0.42
ADRB1 P08588 1/20 0.42
ADRB3 P13945 1/20 0.42

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
SCHEMBL17797890 0.98 LMNA (0.49) LMNACYP1A2CYP2D6POLBSCN1A
SCHEMBL11657190 0.89 PRKCA (0.50) LMNACYP1A2CYP2D6POLBSCN1A
SCHEMBL15512326 0.88 ALDH1A1 (0.56) LMNACYP1A2CYP2D6POLBSCN1A
SCHEMBL223676 0.88 ALDH1A1 (0.56) LMNACYP1A2CYP2D6POLBSCN1A
SCHEMBL30789021 0.88 ALDH1A1 (0.56) LMNACYP1A2CYP2D6POLBSCN1A
SCHEMBL2507961 0.88 LMNA (0.48) LMNACYP1A2CYP2D6POLBSCN1A
SCHEMBL6062795 0.88 ALDH1A1 (0.56) LMNACYP1A2CYP2D6POLBSCN1A
SCHEMBL15512148 0.88 ALDH1A1 (0.56) LMNACYP1A2CYP2D6POLBSCN1A
SCHEMBL115001 0.88 ALDH1A1 (0.56) LMNACYP1A2CYP2D6POLBSCN1A
SCHEMBL15512256 0.88 ALDH1A1 (0.56) LMNACYP1A2CYP2D6POLBSCN1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7638568-B2 Use of isononyl benzoate as a film-forming agent OXENO OLEFINCHEMIE GMBH (DE) 2009-12-29 US claimed
EP-1664177-B1 USE OF ISONONYL BENZOATE AS A FILM-FORMING AGENT OXENO OLEFINCHEMIE GMBH (DE) 2007-06-13 EP claimed
US-20070010599-A1 Use of isononyl benzoate as a film-forming agent OXENO OLEFINCHEMIE GMBH (DE) 2007-01-11 US claimed
US-7638568-B2 Use of isononyl benzoate as a film-forming agent OXENO OLEFINCHEMIE GMBH (DE) 2009-12-29 US disclosed
US-20070010599-A1 Use of isononyl benzoate as a film-forming agent OXENO OLEFINCHEMIE GMBH (DE) 2007-01-11 US disclosed
EP-1360210-A4 METHOD OF HOMO- OR CO-POLYMERIZATION OF $G(A)-OLEFIN SAMSUNG GENERAL CHEMICALS CO (KR) 2004-10-20 EP disclosed
EP-1360210-A1 METHOD OF HOMO- OR CO-POLYMERIZATION OF $G(A)-OLEFIN Samsung General Chemicals Co., Ltd. (KR) 2003-11-12 EP disclosed
US-6559250-B2 Method of homo- or co-polymerization of α-olefin SAMSUNG GENERAL CHEMICALS CO., LTD. (KR) 2003-05-06 US disclosed
WO-2002051881-A1 METHOD OF HOMO- OR CO-POLYMERIZATION OF $G(A)-OLEFIN SAMSUNG GENERAL CHEMICALS CO., LTD. (KR) 2002-07-04 WO disclosed
US-6303715-B1 Method for polymerization and copolymerization of alpha-olefin SAMSUNG GENERAL CHEMICALS CO., LTD. (KR) 2001-10-16 US disclosed
US-6066702-A AN ALPHA-OLEFIN IS POLYMERIZED OR COPOLYMERIZED USING, AS EXTERNAL ELECTRON DONORS, THREE KINDS OF ORGANOSILICON COMPOUNDS, A SOLID COMPLEX TITANUM HALIDE, MAGESIUM COMPOUND, AN INTERNAL ELECTRON DONOR AND AN ORGANOMETALLIC COMPOUND SAMSUNG GENERAL CHEMICALS CO., LTD. (CN) 2000-05-23 US disclosed