SCHEMBL8501956

SCHEMBL8501956

O=C(O)CCOc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.60
RAB9A P51151 1/20 0.59
LIPE Q05469 13/20 0.55
MAPT P10636 2/20 0.54
NPSR1 Q6W5P4 2/20 0.54
BCHE P06276 1/20 0.54
PLAAT3 P53816 1/20 0.53
PLAAT5 Q96KN8 1/20 0.53
PLAAT2 Q9NWW9 1/20 0.53
PLAAT4 Q9UL19 1/20 0.53
CYP3A4 P08684 1/20 0.51
GAA P10253 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
HTT P42858 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
DAGLA Q9Y4D2 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
SCHEMBL10944778 0.86 LMNA (0.62) LMNARAB9ALIPEMAPTNPSR1
SCHEMBL3940686 0.86 MRGPRX4 (0.53) LMNARAB9ALIPEMAPTNPSR1
SCHEMBL10667784 0.84 L3MBTL1 (0.56)
SCHEMBL13506423 0.83 HPGD (0.66) LMNARAB9ALIPEMAPTNPSR1
SCHEMBL11605293 0.83 L3MBTL1 (0.61)
SCHEMBL8413343 0.83 SMN1; SMN2 (0.62) LMNARAB9ALIPEMAPTNPSR1
SCHEMBL11351938 0.81 MAPT (0.69) LMNARAB9ALIPEMAPTNPSR1
SCHEMBL11563026 0.81 LMNA (0.56) LMNARAB9ALIPEMAPTNPSR1
SCHEMBL20626652 0.81 LIPE (0.67) LMNARAB9ALIPEMAPTNPSR1
SCHEMBL4327207 0.81 LMNA (0.73) LMNARAB9ALIPEMAPTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5869681-A PREPARING TRIAZOLINONE INTERMEDIATE BY HEATING HYDROCARBYLOXYCARBONYL-ISOSEMICARBAZIDE TO CYCLIZE BAYER AKTIENGESELLSCHAFT (DE) 1999-02-09 US disclosed
US-5767107-A ADMINISTERING FRAGRANCES, FLAVORS, VITAMINS, AGRICULTURAL CHEMICALS AND DRUGS; BIODEGRADATION; TIME-RELEASE AGENTS BASF CORPORATION (US) 1998-06-16 US disclosed
US-5756719-A Double emulsion techniques for making novel compositions containing gluten and polysaccharides that contain uronic acid residues useful for encapsulating fats, oils and solids BASF CORPORATION (US) 1998-05-26 US disclosed
US-5675017-A REACTING VINY ETHER DERIVATIVE WITH HYDRZINE OR SUBSTITUTED HYDRAZINE TO FORM A CHEMICAL INTERMEDIATE, REACTING INTERMEDIATE WITH SUBSTITUTED HALIDE OR DIALKYL SULFATE MONSANTO COMPANY (US) 1997-10-07 US disclosed
US-5672715-A Herbicidal substituted 3-aryl-pyrazoles MONSANTO COMPANY (US) 1997-09-30 US disclosed
US-4925947-A AGRICULTURAL USE, SENSITIVE TO CROPS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-05-15 US disclosed
EP-0001473-B1 HERBICIDAL HALOGENOMETHYL--PYRIDYLOXY-PHENOXY-ALKANECARBOXYLIC ACIDS AND DERIVATIVES, AND PROCESSES OF CONTROLLING UNWANTED PLANTS THEREWITH IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-07-27 EP disclosed
US-4555575-A CHLORINATION OF A DISUBSTITUTED METHYL PYRIDINE HYDROCHLORIDE SALT IMPERIAL CHEMICAL INDUSTRIES, PLC (GB) 1985-11-26 US disclosed
US-4508907-A 2,3-Dichloro-5-trichloromethylpyridine IMPERIAL CHEMICAL INDUSTRIES, PLC (GB) 1985-04-02 US disclosed
EP-0107866-A2 Trihalomethylpyridine compounds IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1984-05-09 EP disclosed
US-4324627-A CHLORINATION OF 3-METHYLPYRIDINE UNDER INFLUENCE OF ULTRA VIOLET LIGHT IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1982-04-13 US disclosed
US-4317913-A Herbicidal pyridine compounds IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1982-03-02 US disclosed
EP-0021453-A2 2-Chloro-5-trichloromethylpyridine IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1981-01-07 EP disclosed
EP-0001473-A2 Herbicidal halogenomethyl--pyridyloxy-phenoxy-alkanecarboxylic acids and derivatives, and processes of controlling unwanted plants therewith IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1979-04-18 EP disclosed