SCHEMBL3984664

SCHEMBL3984664

O=C(O)c1ccc(C(=O)OCC2(COC(=O)c3cccc(C(=O)O)c3)CCCCC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.41
CYP2D6 P10635 2/20 0.39
CYP2C9 P11712 2/20 0.39
HIF1A Q16665 2/20 0.39
KMO O15229 1/20 0.38
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 2/20 0.37
POLB P06746 2/20 0.37
MAPK1 P28482 2/20 0.37
GAA P10253 2/20 0.37
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SLC6A2 P23975 1/20 0.36
SLC6A3 Q01959 1/20 0.36

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
Isophthalic Acid SCHEMBL3722557 0.92 TDP1 (0.39) TDP1CYP2D6CYP2C9HIF1AKMO
SCHEMBL8734973 0.89 RAB9A (0.40) TDP1CYP2D6CYP2C9HIF1AKMO
SCHEMBL1713120 0.85 TDP1 (0.50) TDP1CYP2D6CYP2C9HIF1ANPSR1
SCHEMBL1473238 0.84 TDP1 (0.35) TDP1CYP2D6CYP2C9HIF1AKMO
SCHEMBL177283 0.83 MAPT (0.41) CYP2D6CYP2C9MAPTNPSR1POLB
Ethylene Glycol SCHEMBL2299685 0.81 MAPT (0.39) CYP2D6CYP2C9MAPTNPSR1POLB
SCHEMBL3983911 0.80 MAPT (0.37) TDP1CYP2D6CYP2C9MAPTNPSR1
SCHEMBL5799937 0.80 ALDH1A1 (0.37) CYP2D6CYP2C9MAPTNPSR1POLB
Terephthalic Acid SCHEMBL247734 0.80 CYP2C9 (0.44) CYP2D6CYP2C9HIF1AKMOMAPT
SCHEMBL11508409 0.79 TDP1 (0.46) TDP1CYP2D6CYP2C9HIF1ANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1625010-B1 A PROCESS FOR HEAT TREATING PRESSURIZED PLASTIC CONTAINERS PROCTER & GAMBLE (US) 2017-08-30 EP claimed
EP-2029455-B1 NON-ROUND PLASTIC PRESSURIZED DISPENSER PROCTER & GAMBLE (US) 2015-03-11 EP claimed
EP-2029456-A2 PLASTIC PRESSURIZED DISPENSER The Procter and Gamble Company (US) 2009-03-04 EP claimed
EP-2029455-A1 NON-ROUND PLASTIC PRESSURIZED DISPENSER The Procter & Gamble Company (US) 2009-03-04 EP claimed
WO-2008007253-A2 PLASTIC PRESSURIZED DISPENSER THE PROCTER & GAMBLE COMPANY (US) 2008-01-17 WO claimed
US-20080003387-A1 Plastic pressurized dispenser PROCTER & GAMBLE COMPANY, THE 2008-01-03 US claimed
WO-2007144847-A1 NON-ROUND PLASTIC PRESSURIZED DISPENSER THE PROCTER & GAMBLE COMPANY (US) 2007-12-21 WO claimed
US-20070292641-A1 Non-round plastic pressurized dispenser PROCTER & GAMBLE COMPANY, THE 2007-12-20 US claimed
EP-1625010-A1 HEAT-TREATED PRESSURIZED PLASTIC CONTAINERS THE PROCTER & GAMBLE COMPANY (US) 2006-02-15 EP claimed
US-6959524-B2 Heat-treated pressurized plastic containers and method of making THE PROCTER & GAMBLE COMPANY (US) 2005-11-01 US claimed
US-20050060953-A1 Heat-treated pressurized plastic containers PROCTER & GAMBLE COMPANY, THE 2005-03-24 US claimed
WO-2004106043-A1 HEAT-TREATED PRESSURIZED PLASTIC CONTAINERS THE PROCTER & GAMBLE COMPANY (US) 2004-12-09 WO claimed
WO-2023178119-A1 CAP OF A PACKAGE SUITABLE FOR STORING PERSONAL HEALTH CARE PRODUCTS THE PROCTER & GAMBLE COMPANY (US) 2023-09-21 WO disclosed
US-20230294886-A1 CAP OF A PACKAGE SUITABLE FOR STORING PERSONAL HEALTH CARE PRODUCTS THE PROCTER & GAMBLE COMPANY 2023-09-21 US disclosed
US-20230294887-A1 CAP OF A PACKAGE SUITABLE FOR STORING PERSONAL HEALTH CARE PRODUCTS COMPANY, THE P&G, COMP 2023-09-21 US disclosed
WO-2023178120-A1 CAP OF A PACKAGE SUITABLE FOR STORING PERSONAL HEALTH CARE PRODUCTS THE PROCTER & GAMBLE COMPANY (US) 2023-09-21 WO disclosed
EP-1625010-A1 HEAT-TREATED PRESSURIZED PLASTIC CONTAINERS THE PROCTER & GAMBLE COMPANY (US) 2006-02-15 EP disclosed
US-6959524-B2 Heat-treated pressurized plastic containers and method of making THE PROCTER & GAMBLE COMPANY (US) 2005-11-01 US disclosed
US-20050060953-A1 Heat-treated pressurized plastic containers PROCTER & GAMBLE COMPANY, THE 2005-03-24 US disclosed
WO-2004106043-A1 HEAT-TREATED PRESSURIZED PLASTIC CONTAINERS THE PROCTER & GAMBLE COMPANY (US) 2004-12-09 WO disclosed