Estramustine

Estramustine

SCHEMBL2348477

C[C@]12CC[C@@H]3c4ccc(OC(=O)N(CCCl)CCCl)cc4CC[C@H]3[C@@H]1CC[C@@H]2O.C[C@]12CC[C@@H]3c4ccc(OC(=O)N(CCCl)CCCl)cc4CC[C@H]3[C@@H]1CC[C@@H]2O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 2/20 1.00
BLM P54132 2/20 1.00
ESR1 P03372 6/20 0.76
ADORA3 P0DMS8 3/20 0.76
INPPL1 O15357 1/20 0.76
PTPN1 P18031 1/20 0.76
DRD1 P21728 1/20 0.76
PTPN6 P29350 1/20 0.76
KDR P35968 1/20 0.76
PTPN11 Q06124 1/20 0.76
LMNA P02545 5/20 0.73
SMN1; SMN2 Q16637 3/20 0.73
ATM Q13315 2/20 0.73
PGR P06401 2/20 0.73
AR P10275 2/20 0.73
SLC6A3 Q01959 2/20 0.73
CHRM1 P11229 1/20 0.73
TBXA2R P21731 1/20 0.73
ADRA1A P35348 1/20 0.73
OPRM1 P35372 1/20 0.73

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
Estramustine SCHEMBL8173336 1.00 RECQL (1.00) RECQLBLMESR1ADORA3INPPL1
Estramustine SCHEMBL14031683 1.00 RECQL (1.00) RECQLBLMESR1ADORA3INPPL1
Estramustine SCHEMBL4252 1.00 RECQL (1.00) RECQLBLMESR1ADORA3INPPL1
Estramustine SCHEMBL29349776 1.00 RECQL (1.00) RECQLBLMESR1ADORA3INPPL1
Estramustine SCHEMBL29374661 1.00 RECQL (1.00) RECQLBLMESR1ADORA3INPPL1
Estramustine SCHEMBL6353316 1.00 RECQL (1.00) RECQLBLMESR1ADORA3INPPL1
Estramustine SCHEMBL13753350 1.00 RECQL (1.00) RECQLBLMESR1ADORA3INPPL1
Estramustine SCHEMBL7200287 1.00 RECQL (1.00) RECQLBLMESR1ADORA3INPPL1
Estramustine SCHEMBL679202 0.99 RECQL (0.98) RECQLBLMESR1ADORA3INPPL1
Estramustine SCHEMBL7621246 0.99 RECQL (0.98) RECQLBLMESR1ADORA3INPPL1

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007149103-A2 VASCULAR TISSUE ENHANCEMENT AND SELECTIVE DESTRUCTION OF CANCEROUS CELLULAR TISSUE KAISER DANIEL E (US) 2007-12-27 WO claimed
EP-3630083-A1 DIMETHYL-NONATETRAENYL-TRIMETHYL-CYCLOHEXYL COMPOUNDS AND USES THEREOF The Regents of The University of Michigan (US) 2020-04-08 EP disclosed
EP-3534905-A1 SMALL MOLECULE DUAL INHIBITORS OF EGFR/PI3K AND USES THEREOF The Regents of The University of Michigan (US) 2019-09-11 EP disclosed
EP-3471712-A1 SMALL MOLECULE INHIBITORS OF ALDH AND USES THEREOF The Regents of The University of Michigan (US) 2019-04-24 EP disclosed
WO-2019040724-A1 SMALL MOLECULE INHIBITORS OF MYC AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2019-02-28 WO disclosed
EP-3426249-A1 SMALL MOLECULE INDUCERS OF REACTIVE OXYGEN SPECIES AND INHIBITORS OF MITOCHONDRIAL ACTIVITY The Regents of The University of Michigan (US) 2019-01-16 EP disclosed
WO-2019005754-A1 CANCER TREATMENT THE CLEVELAND CLINIC FOUNDATION (US) 2019-01-03 WO disclosed
WO-2018217873-A1 DIMETHYL-NONATETRAENYL-TRIMETHYL-CYCLOHEXYL COMPOUNDS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2018-11-29 WO disclosed
WO-2018081719-A1 SMALL MOLECULE INHIBITORS OF NEK2 AND USES THEREOF ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2018-05-03 WO disclosed
EP-3285583-A1 SMALL MOLECULE INHIBITORS OF MCL-1 AND USES THEREOF The Regents of The University of Michigan (US) 2018-02-28 EP disclosed
WO-2014144942-A2 DNAI FOR THE MODULATION OF GENES PRONAI THERAPEUTICS, INC. (US) 2014-09-18 WO disclosed
WO-2014134038-A1 COMPOSITIONS AND METHODS RELATING TO INDUCTION OF INTESTINAL STEM CELL HOMEOGENESIS AND/OR REGENERATION THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-09-04 WO disclosed
WO-2014085485-A1 METHODS AND COMPOSITIONS FOR TARGETING CANCER STEM CELLS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-06-05 WO disclosed
WO-2014066615-A1 CANCER STEM CELL VACCINATION AND TREATMENT THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-05-01 WO disclosed
WO-2013119923-A1 DIFFERENT STATES OF CANCER STEM CELLS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2013-08-15 WO disclosed
WO-2013078392-A1 METHODS AND COMPOSITIONS INVOLVING INDUCED SENESCENT CELLS FOR CANCER TREATMENT THE UNIVERSITY OF CHICAGO (US) 2013-05-30 WO disclosed
EP-2536431-A2 COMPOSITIONS AND METHODS FOR INHIBITING MMSET The Regents of The University of Michigan (US) 2012-12-26 EP disclosed
WO-2011103028-A2 COMPOSITIONS AND METHODS FOR INHIBITING MMSET THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-08-25 WO disclosed
EP-1549742-A1 METHOD FOR SELECTION OF COMPOUNDS WHICH INHIBIT CLONAL CELL GROWTH AND USE THEREOF Tjötta, Enok (NO) 2005-07-06 EP disclosed
WO-2004055175-A1 METHOD FOR SELECTION OF COMPOUNDS WHICH INHIBIT CLONAL CELL GROWTH AND USE THEREOF TJOETTA ENOK (NO) 2004-07-01 WO disclosed