SCHEMBL7560411

SCHEMBL7560411

COc1ccc(C(=O)[C](c2ccccc2)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
Hydrochloric Acid SCHEMBL905770 0.88 CES2 (0.96) CES2CES1CA1CA2NPC1
Bromide SCHEMBL981452 0.88 CES2 (0.96) CES2CES1CA1CA2NPC1
SCHEMBL8652128 0.85 CES2 (0.81) CES2CES1CA1CA2NPC1
Benzoic Acid SCHEMBL29612332 0.85 CES2 (0.89) CES2CES1CA1CA2NPC1
Benzil SCHEMBL27611875 0.85 CES2 (0.89) CES2CES1CA1CA2NPC1
SCHEMBL6618691 0.82 CES2 (0.77) CES2CES1CA1CA2NPC1
Benzophenone SCHEMBL27935236 0.82 CES2 (0.77) CES2CES1CA1CA2NPC1
SCHEMBL50261 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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110891961-B Improved process for the preparation of imaelstat 美国杰龙生物医药公司 2023-06-30 CN claimed
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
CN-117357548-A Oligonucleotide composition and method for preparing same 美国杰龙生物医药公司 2024-01-09 CN disclosed
CN-111228288-B Oligonucleotide composition and method for preparing same 美国杰龙生物医药公司 2023-10-20 CN disclosed
EP-0850248-B1 COMPOSITIONS AND METHODS FOR THE SYNTHESIS OF ORGANOPHOSPHORUS DERIVATIVES POLSKA AKAD NAUK CENTRUM (PL) 2002-07-24 EP disclosed
US-5856465-A NUCLEOSIDE INTERMEDIATES POLSKA AKADEMIA NAUK CENTRUM BADAN MOLEKULARNYCH I MAKROMOLEKULARNYCH (PL) 1999-01-05 US 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
EP-0850248-A1 COMPOSITIONS AND METHODS FOR THE SYNTHESIS OF ORGANOPHOSPHORUS DERIVATIVES POLSKA AKADEMIA NAUK CENTRUM BADAN MOLEKULARNYCH I MAKROMOLEKULARNYCH (PL) 1998-07-01 EP disclosed
WO-1997009340-A1 COMPOSITIONS AND METHODS FOR THE SYNTHESIS OF ORGANOPHOSPHORUS DERIVATIVES POLSKA AKADEMIA NAUK CENTRUM BADAN MOLEKULARNYCH I MAKROMOLEKULARNYCH (PL) 1997-03-13 WO disclosed
US-5166330-A Phosphonation, amination and reaction with nucleosides HOECHST AKTIENGESELLSCHAFT (DE) 1992-11-24 US 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