SCHEMBL5368475

SCHEMBL5368475

CCC(C)COC(=O)c1ccc(C(=O)OCC(C)CC)cc1

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.86
ESR1 P03372 3/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
ESR2 Q92731 1/20 0.50
CA14 Q9ULX7 1/20 0.50
ADRB2 P07550 7/20 0.49
ADRB1 P08588 7/20 0.49
ADRB3 P13945 7/20 0.49
ALDH1A1 P00352 3/20 0.48
LMNA P02545 3/20 0.48
CYP3A4 P08684 2/20 0.48
CYP1A2 P05177 2/20 0.48
MAOA P21397 1/20 0.48
HSD17B10 Q99714 1/20 0.48
TSHR P16473 2/20 0.47
CHRM1 P11229 1/20 0.47

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
SCHEMBL9493542 0.94 MAPT (0.78) MAPTESR1CA12CA1CA2
SCHEMBL8956806 0.94 MAPT (0.78) MAPTESR1CA12CA1CA2
SCHEMBL9493539 0.94 MAPT (0.78) MAPTESR1CA12CA1CA2
SCHEMBL9345539 0.93 MAPT (1.00) MAPTESR1CA12CA1CA2
SCHEMBL7130973 0.93 MAPT (0.76) MAPTESR1CA12CA1CA2
SCHEMBL9407801 0.93 MAPT (0.76) MAPTESR1CA12CA1CA2
SCHEMBL6937249 0.93 MAPT (0.76) MAPTESR1CA12CA1CA2
SCHEMBL6933734 0.93 MAPT (0.76) MAPTESR1CA12CA1CA2
SCHEMBL9345545 0.93 MAPT (1.00) MAPTESR1CA12CA1CA2
SCHEMBL7130965 0.93 MAPT (0.76) MAPTESR1CA12CA1CA2

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-7208545-B1 Selected cyclohexane -1,3-and -1,4-dicarboxylic acid esters BASF AKTIENGESELLSCHAFT (DE) 2007-04-24 US claimed
EP-1194396-B1 SELECTED CYCLOHEXANE-1,3- AND 1,4-DICARBOXYLIC ACID ESTERS BASF AG (DE) 2005-11-09 EP claimed
US-12122895-B2 Plasticizer composition and resin composition including the same LG CHEM, LTD. (KR) 2024-10-22 US disclosed
EP-3845589-B1 PLASTICIZER COMPOSITION AND RESIN COMPOSITION INCLUDING THE SAME LG CHEMICAL LTD (KR) 2024-05-01 EP disclosed
CN-112888750-B Ceramic ink for inkjet digital printing 地板工业有限公司 2023-09-08 CN disclosed
CN-112041384-B Plasticizer composition and resin composition comprising the same 株式会社LG化学 2022-06-07 CN disclosed
CN-108329516-B Diisoamyl terephthalate 赢创运营有限公司 2022-05-13 CN disclosed
CN-112888750-A Ceramic inks for inkjet digital printing 地板工业有限公司 2021-06-01 CN disclosed
CN-112041384-A Plasticizer composition and resin composition comprising the same 株式会社LG化学 2020-12-04 CN disclosed
EP-3351526-B1 DIISOPENTYLTEREPHTHALATE EVONIK OPERATIONS GMBH (DE) 2020-11-18 EP disclosed
WO-2020045901-A1 PLASTICIZER COMPOSITION AND RESIN COMPOSITION COMPRISING SAME 주식회사 엘지화학 2020-03-05 WO disclosed
EP-3351526-A1 DIISOPENTYLTEREPHTHALATE Evonik Degussa GmbH (DE) 2018-07-25 EP disclosed
US-7208545-B1 Selected cyclohexane -1,3-and -1,4-dicarboxylic acid esters BASF AKTIENGESELLSCHAFT (DE) 2007-04-24 US disclosed