SCHEMBL14975540

SCHEMBL14975540

CCCc1ccc(C(=O)OCC)c(OCCC(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.44
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
TP53 P04637 1/20 0.42
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRB2 P47870 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
SCN1A P35498 1/20 0.40
SCN2A Q99250 1/20 0.40
SCN3A Q9NY46 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40

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
SCHEMBL14974771 0.94 ACACB (0.41) ACACBSMN1; SMN2KDM4EALDH1A1GABRA1
SCHEMBL14975327 0.93 PPARG (0.43) ACACBHTTSMN1; SMN2TP53KDM4E
SCHEMBL14974716 0.93 ACACB (0.41) ACACBSMN1; SMN2KDM4EALDH1A1GABRA1
SCHEMBL14974701 0.91 GABRA1 (0.48) HTTSMN1; SMN2TP53KDM4EALDH1A1
SCHEMBL14974494 0.88 CYP1A2 (0.50) SMN1; SMN2ALDH1A1CYP1A2CYP2D6SCN1A
SCHEMBL14974858 0.88 PPARG (0.47) SMN1; SMN2TP53ALDH1A1CYP1A2CYP2D6
SCHEMBL14974743 0.88 PPARG (0.43) SMN1; SMN2KDM4EALDH1A1CYP1A2CYP2D6
SCHEMBL14977792 0.87 CA12 (0.41) ACACBSMN1; SMN2ALDH1A1CA12CA1
SCHEMBL14975369 0.87 PPARG (0.43) SMN1; SMN2TP53KDM4EALDH1A1CYP1A2
SCHEMBL25420770 0.86 PPARA (0.51) ACACBHTTSMN1; SMN2KDM4EALDH1A1

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 15 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-8765626-B2 Internal donor structure for olefin polymerization catalysts and methods of making and using same BASF CORPORATION (US) 2014-07-01 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