SCHEMBL9462

SCHEMBL9462

CCCOC(=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.79
ALDH1A1 P00352 4/20 0.66
TDP1 Q9NUW8 2/20 0.66
ESR1 P03372 2/20 0.66
TSHR P16473 2/20 0.66
CHRM1 P11229 1/20 0.66
SLC6A2 P23975 1/20 0.66
KDR P35968 1/20 0.66
NPC1 O15118 3/20 0.61
KDM4E B2RXH2 1/20 0.60
MAPT P10636 4/20 0.58
HPGD P15428 2/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
THRB P10828 1/20 0.58
SMN1; SMN2 Q16637 4/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
SLC1A5 Q15758 1/20 0.55
STAT1 P42224 1/20 0.55
RAB9A P51151 1/20 0.55

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
Propylparaben SCHEMBL28219717 0.94 ESR1 (0.78) LMNAALDH1A1TDP1ESR1TSHR
SCHEMBL28881217 0.93 ALDH1A1 (0.75) LMNAALDH1A1TDP1ESR1TSHR
SCHEMBL12832705 0.90 TSHR (0.68) LMNAALDH1A1TDP1ESR1TSHR
SCHEMBL7181498 0.89 LMNA (1.00) LMNAALDH1A1TDP1ESR1TSHR
SCHEMBL130761 0.89 LMNA (1.00) LMNAALDH1A1TDP1ESR1TSHR
SCHEMBL13291921 0.88 CNR2 (0.68) LMNAALDH1A1TDP1ESR1TSHR
SCHEMBL28387455 0.87 LMNA (0.96) LMNAALDH1A1TDP1ESR1TSHR
Methane SCHEMBL28760616 0.87 LMNA (0.96) LMNAALDH1A1TDP1ESR1TSHR
SCHEMBL4465574 0.87 LMNA (0.96) LMNAALDH1A1TDP1ESR1TSHR
SCHEMBL30886680 0.87 LMNA (0.96) LMNAALDH1A1TDP1ESR1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2297162-A1 COMPOUNDS Amura Therapeutics Limited (GB) 2011-03-23 EP claimed
WO-2009144450-A1 TETRAHYDROFURO [3, 2-B] PYRROL-3-ONE DERIVATIVES AS INHIBITORS OF CYSTEINE PROTEASES AMURA THERAPEUTICS LIMITED (GB) 2009-12-03 WO claimed
WO-2009112839-A1 COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2009-09-17 WO claimed
EP-2081919-A1 TETRAHYDROFURO [3, 2-B]PYRR0L-3-0NE INTERMEDIATES Amura Therapeutics Limited (GB) 2009-07-29 EP claimed
WO-2008007132-A1 TETRAHYDROFURO [3, 2-B] PYRR0L-3-0NE INTERMEDIATES AMURA THERAPEUTICS LIMITED (GB) 2008-01-17 WO claimed
EP-4274564-A1 NIMBOLIDE ANALOGS AND METHODS OF USE THEREOF THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2023-11-15 EP disclosed
WO-2023212746-A2 A UNIFIED STRATEGY FOR THE TOTAL SYNTHESES OF ERIBULIN AND A MACROLACTAM ANALOGUE OF HALICHONDRIN B WILLIAM MARSH RICE UNIVERSITY (US) 2023-11-02 WO disclosed
WO-2023164777-A1 GUCY2C-TARGETED RADIOPHARMACEUTICALS AND USE THEREOF Fusion Pharmaceuticals Inc. (CA) 2023-09-07 WO disclosed
WO-2022150667-A1 NIMBOLIDE ANALOGS AND METHODS OF USE THEREOF THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2022-07-14 WO disclosed
EP-3794009-A1 BIARYL AMIDES WITH MODIFIED SUGAR GROUPS FOR TREATMENT OF DISEASES ASSOCIATED WITH HEAT SHOCK PROTEIN PATHWAY Reata Pharmaceuticals, Inc. (US) 2021-03-24 EP disclosed
EP-3740479-A1 DNA-PK INHIBITORS Vertex Pharmaceuticals Incorporated (US) 2020-11-25 EP disclosed
WO-2020227180-A1 SULFUR AND AMIDE TROPOLONE INHIBITORS OF NUCLEOTIDYL TRANSFERASES AND USES THEREFOR SAINT LOUIS UNIVERSITY (US) 2020-11-12 WO disclosed
WO-1997030051-A1 ACYCLIC NUCLEOSIDE DERIVATIVES MEDIVIR AB (SE) 1997-08-21 WO disclosed
EP-0773926-A1 DIFLUOROSTATONE ANTIVIRAL AGENTS MERRELL PHARMACEUTICALS INC. (US) 1997-05-21 EP disclosed
EP-0717731-A1 DIFLUORO STATONE ANTIVIRAL ANALOGS MERRELL PHARMACEUTICALS INC. (US) 1996-06-26 EP disclosed
EP-0702696-A1 TRIFUNCTIONAL ANTITHROMBIN AND ANTIPLATELET PEPTIDES MERRELL PHARMACEUTICALS INC. (US) 1996-03-27 EP disclosed
EP-0648224-A1 CONFORMATIONALLY RESTRAINED PEPTIDE ANALOGS AS ANTIPLATELET AGENTS MERRELL PHARMACEUTICALS INC. (US) 1995-04-19 EP disclosed
WO-1994029349-A1 TRIFUNCTIONAL ANTITHROMBIN AND ANTIPLATELET PEPTIDES MERRELL PHARMACEUTICALS INC. (US) 1994-12-22 WO disclosed
EP-0540574-A4 1994-04-27 EP disclosed
EP-0540574-A1 ANTICOAGULANT PEPTIDES. MERRELL DOW PHARMA (US) 1993-05-12 EP disclosed