SCHEMBL3454583

SCHEMBL3454583

O=C(c1cccc(Cl)c1Cl)C(O)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.56
LMNA P02545 3/20 0.52
CES2 O00748 2/20 0.52
CES1 P23141 2/20 0.52
P2RX7 Q99572 3/20 0.50
MAPK1 P28482 1/20 0.47
GPR139 Q6DWJ6 1/20 0.47
ERCC5 P28715 1/20 0.46
FEN1 P39748 1/20 0.46
ALDH1A1 P00352 2/20 0.46
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
KCNH2 Q12809 1/20 0.43
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
TAS1R2 Q8TE23 1/20 0.43
KDM4E B2RXH2 1/20 0.41
CYP2C9 P11712 1/20 0.41
NPC1 O15118 1/20 0.41

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
SCHEMBL44517 0.87 LMNA (0.57) TSHRLMNACES2CES1MAPK1
SCHEMBL9960008 0.86 LMNA (0.52) TSHRLMNACES2CES1P2RX7
SCHEMBL27896734 0.85 LMNA (0.50) TSHRLMNACES2CES1P2RX7
SCHEMBL2901773 0.84 P2RX7 (0.50) TSHRLMNAP2RX7GPR139ALDH1A1
SCHEMBL28154416 0.83 LMNA (0.49) TSHRLMNACES2CES1P2RX7
SCHEMBL27913742 0.83 CES2 (0.49) TSHRLMNACES2CES1P2RX7
SCHEMBL28137004 0.83 CES2 (0.50) LMNACES2CES1P2RX7MAPK1
SCHEMBL8799603 0.82 FABP3 (0.49) TSHRLMNACES2CES1P2RX7
SCHEMBL8799601 0.81 LMNA (0.50) TSHRLMNACES2CES1MAPK1
SCHEMBL31302601 0.81 LMNA (0.46) TSHRLMNACES2CES1P2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0788314-B1 NONDIGESTIBLE FAT COMPOSITIONS CONTAINING DIVERSELY ESTERIFIED POLYOL POLYESTERS FOR PASSIVE OIL LOSS CONTROL PROCTER & GAMBLE (US) 2001-09-12 EP claimed
EP-0788314-A1 NONDIGESTIBLE FAT COMPOSITIONS CONTAINING DIVERSELY ESTERIFIED POLYOL POLYESTERS FOR PASSIVE OIL LOSS CONTROL THE PROCTER & GAMBLE COMPANY (US) 1997-08-13 EP claimed
US-5480667-A CONTAING NONDIGESTIBLE SOLID POLYOL ESTERS OF SPECIFIED CARBON CHAIN LENGTH FATTY ACID DISPERSED IN LIQUID NONDIGESTIBLE OIL; POTATO CHIPS CORRIGAN PATRICK J (US) 1996-01-02 US claimed
WO-1994009639-A1 NONDIGESTIBLE FAT COMPOSITIONS CONTAINING DIVERSELY ESTERIFIED POLYOL POLYESTERS FOR PASSIVE OIL LOSS CONTROL THE PROCTER & GAMBLE COMPANY (US) 1994-05-11 WO claimed
CN-109475943-A Superfine metal nano wire is synthesized with organic free radical 加利福尼亚大学董事会 2019-03-15 CN disclosed
CN-108238900-A A kind of synthetic method of pharmaceutical intermediate 2,5- dichlorobenzoic acids 成都东电艾尔科技有限公司 2018-07-03 CN disclosed
CN-107917971-A Myristic acid and glycerin compositions are assessing the application of chronic myelocytic leukemia TKI curative effects 苏州大学附属第医院 2018-04-17 CN disclosed
CN-107831225-A Stearic acid/palmitic acid combines the application as aGVHD disease diagnosis markers 苏州大学附属第医院 2018-03-23 CN disclosed
CN-107311948-A A kind of key intermediates of MI 2 and preparation method thereof 福州大学 2017-11-03 CN disclosed
CN-105886967-A High-pressure-resistant carbonized fiber metal composite material and preparation method thereof 苏州洪河金属制品有限公司 2016-08-24 CN disclosed
CN-101979539-B Reagents and methods for isolating purified RNA CHOMCZYNSKI PIOTR 2014-07-23 CN disclosed
CN-1997740-B Reagents and methods for isolating purified RNA Peter Komchinsky (US) 2011-12-07 CN disclosed
US-5422131-A Replacements for triglycerides and fats in foods; dispersion of esterified fatty alcohol plate-like particles in an esterified fatty alcohol oil THE PROCTER & GAMBLE COMPANY (US) 1995-06-06 US disclosed
WO-1995010041-A1 USE OF CAPILLARY ELECTROPHORESIS FOR QUANTITATING THE CONCENTRATION OF PROTEIN COMPONENTS AND OF THE TOTAL PROTEIN IN FLUIDS BECKMAN INSTRUMENTS, INC. (US) 1995-04-13 WO disclosed
WO-1994009639-A1 NONDIGESTIBLE FAT COMPOSITIONS CONTAINING DIVERSELY ESTERIFIED POLYOL POLYESTERS FOR PASSIVE OIL LOSS CONTROL THE PROCTER & GAMBLE COMPANY (US) 1994-05-11 WO disclosed
WO-1994009640-A1 NONDIGESTIBLE FAT COMPOSITIONS CONTAINING COCRYSTALLIZED BLEND OF POLYOL POLYESTER HARDSTOCK AND CRYSTAL MODIFIER AS A PASSIVE OIL LOSS CONTROL AGENT THE PROCTER & GAMBLE COMPANY (US) 1994-05-11 WO disclosed
WO-1994009641-A1 NONDIGESTIBLE FAT COMPOSITIONS CONTAINING RELATIVELY SMALL NONDIGESTIBLE SOLID PARTICLES FOR PASSIVE OIL LOSS CONTROL THE PROCTER & GAMBLE COMPANY (US) 1994-05-11 WO disclosed
US-5082591-A Pesticides, etc. RHONE-POULENC CHIMIE (FR) 1992-01-21 US disclosed
EP-0433112-A1 Modified gangliosides and the functional derivatives thereof FIDIA S.p.A. (IT) 1991-06-19 EP disclosed
US-4281125-A CYCLIZATION DIAMOND SHAMROCK CORPORATION (US) 1981-07-28 US disclosed