SCHEMBL6741299

SCHEMBL6741299

CCOC(=O)C(Cc1ccc(Cl)cc1)(C(=O)OCC)C(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.54
CYP1A2 P05177 2/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
NFKB1 P19838 1/20 0.54
CYP2C19 P33261 1/20 0.54
LMNA P02545 3/20 0.52
PMP22 Q01453 2/20 0.52
NLRP3 Q96P20 1/20 0.52
ABCB11 O95342 1/20 0.50
TSHR P16473 1/20 0.50
HTR2A P28223 1/20 0.50
PPARA Q07869 1/20 0.50
OPRK1 P41145 1/20 0.49
ALDH1A1 P00352 3/20 0.42
MAPT P10636 3/20 0.42
KDM4E B2RXH2 1/20 0.42
TNF P01375 1/20 0.42
HSP90AA1 P07900 1/20 0.42
HPGD P15428 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
SCHEMBL6740786 0.84 ALDH1A1 (0.56) LMNATSHRHTR2AOPRK1ALDH1A1
SCHEMBL11732965 0.82 ALDH1A1 (0.39) CYP3A4CYP1A2CYP2D6CYP2C9NFKB1
SCHEMBL14935106 0.81 CYP3A4 (0.55) CYP3A4CYP1A2CYP2D6CYP2C9NFKB1
SCHEMBL2557165 0.80 CYP3A4 (0.58) CYP3A4CYP1A2CYP2D6CYP2C9NFKB1
SCHEMBL29277110 0.80 CYP3A4 (0.54) CYP3A4CYP1A2CYP2D6CYP2C9NFKB1
Malonic Acid SCHEMBL6829250 0.79 MAPT (0.43) CYP1A2CYP2C9CYP2C19LMNATSHR
SCHEMBL6879017 0.79 CYP3A4 (0.53) CYP3A4CYP1A2CYP2D6CYP2C9NFKB1
SCHEMBL25223158 0.78 CYP3A4 (0.53) CYP3A4CYP1A2CYP2D6CYP2C9NFKB1
SCHEMBL1773480 0.77 CYP3A4 (0.55) CYP3A4CYP1A2CYP2D6CYP2C9NFKB1
SCHEMBL4299713 0.77 CYP3A4 (0.55) CYP3A4CYP1A2CYP2D6CYP2C9NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1042372-B1 COMPONENTS AND CATALYSTS FOR THE POLYMERIZATION OF OLEFINS BASELL POLIOLEFINE SPA (IT) 2004-07-14 EP claimed
US-20030207754-A1 Process for the polymerization of olefins MORINI GIAMPIERO (IT) 2003-11-06 US claimed
US-20030207755-A1 Heteroatom containing malonates used in catalysts for the polymerization of olefins MORINI GIAMPIERO (IT) 2003-11-06 US claimed
US-20030199388-A1 Catalysts for the polymerization of olefins EQUISTAR CHEMICALS, LP 2003-10-23 US claimed
US-6605562-B1 Comprising TiCl4, MgCl2 and an electron donor compound selected from heteroatom containing esters of malonic acids; heteroatoms are preferably selected from F, Cl, Br, and Si BASELL POLIOLEFINE ITALIA S.P.A. (IT) 2003-08-12 US claimed
EP-1042372-A1 COMPONENTS AND CATALYSTS FOR THE POLYMERIZATION OF OLEFINS Montell Technology Company bv (NL) 2000-10-11 EP claimed
WO-2000026259-A1 COMPONENTS AND CATALYSTS FOR THE POLYMERIZATION OF OLEFINS MONTELL TECHNOLOGY COMPANY BV (NL) 2000-05-11 WO claimed
US-10954324-B2 Catalyst component for high activity and high stereoselectivity in olefin polymerization FORMOSA PLASTICS CORPORATION, U.S.A. (US) 2021-03-23 US disclosed
US-20180066084-A1 Catalyst Component for High Activity and high Stereoselectivity in Olefin Polymerization FORMOSA PLASTICS CORPORATION, U.S.A. 2018-03-08 US disclosed
US-9815918-B2 Catalyst component for high activity and high stereoselectivity in olefin polymerization FORMOSA PLASTICS CORPORATION, U.S.A. (US) 2017-11-14 US disclosed
US-20130244863-A1 Catalyst Component For High Activity And High Stereoselectivity In Olefin Polymerization FORMOSA PLASTICS CORPORATION, USA (US) 2013-09-19 US disclosed
EP-1042372-B1 COMPONENTS AND CATALYSTS FOR THE POLYMERIZATION OF OLEFINS BASELL POLIOLEFINE SPA (IT) 2004-07-14 EP disclosed
US-6699814-B2 CATALYST COMPRISING PRODUCT OF REACTION BETWEEN SOLID CATALYST COMPONENT COMPRISING MAGNESIUM, TITANIUM, HALOGEN AND HETEROATOM CONTAINING MALONATE, ALKYLALUMINUM COMPOUND AND, OPTIONALLY, ONE OR MORE ELECTRON-DONOR COMPOUNDS BASELL POLIOLEFINE ITALIA S.P.A. (IT) 2004-03-02 US disclosed
US-6689850-B2 Process for the polymerization of olefins BASELL POLIOLEFINE ITALIA S.P.A. (IT) 2004-02-10 US disclosed
US-20030207754-A1 Process for the polymerization of olefins MORINI GIAMPIERO (IT) 2003-11-06 US disclosed
US-20030207755-A1 Heteroatom containing malonates used in catalysts for the polymerization of olefins MORINI GIAMPIERO (IT) 2003-11-06 US disclosed
US-20030199388-A1 Catalysts for the polymerization of olefins EQUISTAR CHEMICALS, LP 2003-10-23 US disclosed
US-6605562-B1 Comprising TiCl4, MgCl2 and an electron donor compound selected from heteroatom containing esters of malonic acids; heteroatoms are preferably selected from F, Cl, Br, and Si BASELL POLIOLEFINE ITALIA S.P.A. (IT) 2003-08-12 US disclosed
EP-1042372-A1 COMPONENTS AND CATALYSTS FOR THE POLYMERIZATION OF OLEFINS Montell Technology Company bv (NL) 2000-10-11 EP disclosed
WO-2000026259-A1 COMPONENTS AND CATALYSTS FOR THE POLYMERIZATION OF OLEFINS MONTELL TECHNOLOGY COMPANY BV (NL) 2000-05-11 WO disclosed