SCHEMBL14975689

SCHEMBL14975689

CCCOc1c(CC)cc(CC)cc1C(=O)OCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
ALDH1A1 P00352 4/20 0.40
GAA P10253 2/20 0.40
MAPK1 P28482 2/20 0.40
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA7 P43166 2/20 0.40
CA9 Q16790 2/20 0.40
CA14 Q9ULX7 2/20 0.40
DPP4 P27487 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MAPT P10636 2/20 0.39
KMT2A Q03164 2/20 0.39
HSD17B10 Q99714 2/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL14975083 0.93 TSHR (0.44) TSHRCYP4F2CYP4A11ALDH1A1GAA
SCHEMBL14975553 0.90 TSHR (0.47) TSHRALDH1A1MAPK1HSD17B10LMNA
SCHEMBL14992402 0.90 TSHR (0.47) TSHRALDH1A1MAPK1HSD17B10LMNA
SCHEMBL14975147 0.87 ALDH1A1 (0.41) TSHRCYP4F2CYP4A11ALDH1A1GAA
SCHEMBL14974559 0.86 L3MBTL1 (0.43) TSHRCYP4F2CYP4A11ALDH1A1GAA
SCHEMBL14974791 0.85 KDM4E (0.39) TSHRCYP4F2CYP4A11ALDH1A1MAPK1
SCHEMBL14975214 0.85 MAPK1 (0.41) TSHRCYP4F2CYP4A11ALDH1A1GAA
SCHEMBL14975488 0.84 MAPK1 (0.45) TSHRCYP4F2CYP4A11ALDH1A1GAA
SCHEMBL14974991 0.82 TSHR (0.40) TSHRCYP4F2CYP4A11ALDH1A1GAA
SCHEMBL14974738 0.82 ALDH1A1 (0.41) TSHRCYP4F2CYP4A11ALDH1A1GAA

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-2785752-B1 INTERNAL ELECTRON DONOR FOR OLEFIN POLYMERIZATION CATALYSTS, METHOD OF MAKING AND USING THE SAME BRASKEM AMERICA INC (US) 2023-05-31 EP claimed
US-20140235805-A1 INTERNAL DONOR STRUCTURE FOR OLEFIN POLYMERIZATION CATALYSTS AND METHODS OF MAKING AND USING SAME BASF CORPORATION (US) 2014-08-21 US claimed
US-20130231447-A1 NEW INTERNAL DONORS FOR ETHYLENE POLYMERIZATION CATALYSTS AND METHODS OF MAKING AND USING SAME II BASF CORPORATION (US) 2013-09-05 US claimed
US-20130137568-A1 Internal Donor Structure for Olefin Polymerization Catalysts and Methods of Making and Using Same BASF CORPORATION 2013-05-30 US claimed
EP-2785752-B1 INTERNAL ELECTRON DONOR FOR OLEFIN POLYMERIZATION CATALYSTS, METHOD OF MAKING AND USING THE SAME BRASKEM AMERICA INC (US) 2023-05-31 EP disclosed
US-10144790-B2 Internal donor structure for olefin polymerization catalysts and methods of making and using same W.R. GRACE & CO.-CONN. (US) 2018-12-04 US disclosed
US-20170121433-A1 INTERNAL DONOR STRUCTURE FOR OLEFIN POLYMERIZATION CATALYSTS AND METHODS OF MAKING AND USING SAME W. R. GRACE & CO.-CONN. 2017-05-04 US disclosed
US-9567410-B2 Internal donor structure for olefin polymerization catalysts and methods of making and using same W.R. GRACE & CO.-CONN. (US) 2017-02-14 US disclosed
US-20160145358-A1 INTERNAL DONOR STRUCTURE FOR OLEFIN POLYMERIZATION CATALYSTS AND METHODS OF MAKING AND USING SAME W. R. GRACE & CO.-CONN. 2016-05-26 US disclosed
US-9217047-B2 Internal donor structure for olefin polymerization catalysts and methods of making and using same BASF CORPORATION (US) 2015-12-22 US disclosed
US-20140235805-A1 INTERNAL DONOR STRUCTURE FOR OLEFIN POLYMERIZATION CATALYSTS AND METHODS OF MAKING AND USING SAME BASF CORPORATION (US) 2014-08-21 US disclosed
US-8765626-B2 Internal donor structure for olefin polymerization catalysts and methods of making and using same BASF CORPORATION (US) 2014-07-01 US disclosed
US-20130231447-A1 NEW INTERNAL DONORS FOR ETHYLENE POLYMERIZATION CATALYSTS AND METHODS OF MAKING AND USING SAME II BASF CORPORATION (US) 2013-09-05 US disclosed
US-20130137568-A1 Internal Donor Structure for Olefin Polymerization Catalysts and Methods of Making and Using Same BASF CORPORATION 2013-05-30 US disclosed