SCHEMBL8652128

SCHEMBL8652128

COc1ccc(C(=O)[C](C(=O)c2ccc(OC)cc2)c2ccccc2)cc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.81
CES1 P23141 3/20 0.81
CA1 P00915 3/20 0.59
CA2 P00918 3/20 0.59
NPC1 O15118 4/20 0.57
RAB9A P51151 4/20 0.57
MAPT P10636 3/20 0.57
PAX8 Q06710 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
KDM4E B2RXH2 2/20 0.53
HPGD P15428 1/20 0.53
CDK5 Q00535 2/20 0.53
CDK5R1 Q15078 2/20 0.53
PKM P14618 1/20 0.53
KCNK9 Q9NPC2 1/20 0.53
PARP1 P09874 1/20 0.52
PARP10 Q53GL7 1/20 0.52
PARP2 Q9UGN5 1/20 0.52
PARP4 Q9UKK3 1/20 0.52
F10 P00742 1/20 0.51

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
SCHEMBL2156563 0.90 CES2 (1.00) CES2CES1CA1CA2NPC1
Bromide SCHEMBL981452 0.88 CES2 (0.96) CES2CES1CA1CA2NPC1
Hydrochloric Acid SCHEMBL905770 0.88 CES2 (0.96) CES2CES1CA1CA2NPC1
SCHEMBL7560411 0.85 CES2 (0.81) CES2CES1CA1CA2NPC1
Benzil SCHEMBL27611875 0.85 CES2 (0.89) CES2CES1CA1CA2NPC1
Benzoic Acid SCHEMBL29612332 0.85 CES2 (0.89) CES2CES1CA1CA2NPC1
SCHEMBL50261 0.82 CES2 (0.77) CES2CES1CA1CA2NPC1
Benzophenone SCHEMBL27935236 0.82 CES2 (0.77) CES2CES1CA1CA2NPC1
SCHEMBL6618691 0.82 CES2 (0.77) CES2CES1CA1CA2NPC1
SCHEMBL9804961 0.81 CES2 (0.76) CES2CES1CA1CA2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5789576-A DIASTEREOSPECIFIC DIMERIZATION USING ALKOXYMAGNESIUM HALIDE REACTANT; USED FOR SOLID PHASE SYNTHESIS OF ANTISENSE OLIGONUCLEOTIDES GENTA INCORPORATED (US) 1998-08-04 US claimed
US-5166330-A Phosphonation, amination and reaction with nucleosides HOECHST AKTIENGESELLSCHAFT (DE) 1992-11-24 US claimed
EP-0136543-B1 METHOD FOR THE PREPARATION OF NUCLEOSIDEALKYL, ARALKYL AND ARYL PHOSPHONITES AND PHOSPHONATES HOECHST AKTIENGESELLSCHAFT (DE) 1988-11-23 EP claimed
EP-0136543-A2 Method for the preparation of nucleosidealkyl, aralkyl and aryl phosphonites and phosphonates HOECHST AKTIENGESELLSCHAFT (DE) 1985-04-10 EP claimed
EP-0592434-B1 IMPROVED PROCESS FOR THE SYNTHESIS OF OLIGOMERS GENTA INC (US) 1998-10-07 EP disclosed
US-5789576-A DIASTEREOSPECIFIC DIMERIZATION USING ALKOXYMAGNESIUM HALIDE REACTANT; USED FOR SOLID PHASE SYNTHESIS OF ANTISENSE OLIGONUCLEOTIDES GENTA INCORPORATED (US) 1998-08-04 US disclosed
US-5726300-A FORMING AN INTERNUCLEOSIDE LINKAGE HAVING A PENTAVALENT PHOSPHORUS BETWEEN A 5'-OXYGEN OF A FIRST NUCLEOSIDE AND A 3'-OXYGEN OF A SECOND NUCLEOSIDE GENTA INCORPORATED (US) 1998-03-10 US disclosed
US-5723599-A CROSSLINKED NON-AROMATIC SUPPORT DERIVATIZED WITH REACTIVE GROUP LINKED TO ACTIVATED NUCLEOSIDE GENTA INCORPORATED (US) 1998-03-03 US disclosed
EP-0592434-A4 IMPROVED PROCESS FOR THE SYNTHESIS OF OLIGOMERS GENTA INC (US) 1996-04-24 EP disclosed
EP-0592434-A1 IMPROVED PROCESS FOR THE SYNTHESIS OF OLIGOMERS GENTA INCORPORATED (US) 1994-04-20 EP disclosed
EP-0554407-A4 1994-04-13 EP disclosed
EP-0554407-A1 NON-AROMATIC ORGANIC POLYMERIC REAGENTS FOR SOLID PHASE SYNTHESIS OF OLIGOMERS GENTA INCORPORATED (US) 1993-08-11 EP disclosed
US-5166330-A Phosphonation, amination and reaction with nucleosides HOECHST AKTIENGESELLSCHAFT (DE) 1992-11-24 US disclosed
WO-1992007882-A1 NON-AROMATIC ORGANIC POLYMERIC REAGENTS FOR SOLID PHASE SYNTHESIS OF OLIGOMERS GENTA INCORPORATED (US) 1992-05-14 WO disclosed
WO-1992007864-A1 IMPROVED PROCESS FOR THE SYNTHESIS OF OLIGOMERS GENTA INCORPORATED (US) 1992-05-14 WO disclosed
EP-0136543-B1 METHOD FOR THE PREPARATION OF NUCLEOSIDEALKYL, ARALKYL AND ARYL PHOSPHONITES AND PHOSPHONATES HOECHST AKTIENGESELLSCHAFT (DE) 1988-11-23 EP disclosed
EP-0136543-A2 Method for the preparation of nucleosidealkyl, aralkyl and aryl phosphonites and phosphonates HOECHST AKTIENGESELLSCHAFT (DE) 1985-04-10 EP disclosed