SCHEMBL7749333

SCHEMBL7749333

CCOc1ccc(C(C)(C)CO)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NQO1 P15559 1/20 0.56
▸ CYP3A4 P08684 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ LTA4H P09960 2/20 0.47
▸ TSHR P16473 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ PLK1 P53350 1/20 0.46
▸ EPHX2 P34913 1/20 0.45
▸ NR1H4 Q96RI1 1/20 0.45
▸ PARP10 Q53GL7 1/20 0.44
▸ PRSS1 P07477 1/20 0.44
▸ PRSS2 P07478 1/20 0.44
▸ PRSS3 P35030 1/20 0.44
▸ CYP1A1 P04798 1/20 0.43
▸ CYP1B1 Q16678 1/20 0.43
▸ MAOB P27338 1/20 0.43
▸ ADRA2A P08913 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ NPC1 O15118 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42

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
Acetic Acid SCHEMBL28552601 0.91 SMN1; SMN2 (0.47) NQO1CYP3A4SMN1; SMN2TDP1PLK1
SCHEMBL10879306 0.85 CYP3A4 (0.57) CYP3A4SMN1; SMN2LTA4HPLK1CYP1A1
SCHEMBL10879465 0.85 CYP3A4 (0.57) CYP3A4SMN1; SMN2LTA4HMAOBALDH1A1
SCHEMBL805161 0.83 NQO1 (0.61) NQO1TSHRTDP1MAOBMAPT
SCHEMBL11128383 0.82 NQO1 (0.58) NQO1CYP3A4SMN1; SMN2LTA4HTSHR
SCHEMBL1506598 0.81 CA1 (0.50) CYP3A4SMN1; SMN2TDP1EPHX2NR1H4
SCHEMBL23512941 0.81 NQO1 (0.52) NQO1CYP3A4SMN1; SMN2LTA4HTSHR
SCHEMBL8509041 0.80 NQO1 (0.56) NQO1CYP3A4SMN1; SMN2LTA4HTSHR
SCHEMBL19232137 0.80 NQO1 (0.56) NQO1CYP3A4SMN1; SMN2LTA4HTSHR
SCHEMBL1257955 0.80 SMN1; SMN2 (0.66) NQO1CYP3A4SMN1; SMN2LTA4HTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115557836-A Preparation method of carboxylic acid 云南大学 2023-01-03 — — CN claimed
CN-112723999-A Synthetic method of 2- (4-ethoxyphenyl) -2-methylpropanol 湖北英纳氏生物科技有限公司 2021-04-30 — — CN claimed
CN-102807488-B Hapten and antigen universally used for ether pyrethroid pesticide, and synthesis method and application of hapten and antigen INST AGRO FOOD SCI & TECH CAAS 2014-04-23 — — CN claimed
CN-103467254-A Preparation method of 2-(4-oxethyl phenyl)-2-methyl propanol LIANYUNGANG GUOSHENG CHEMICAL CO LTD 2013-12-25 — — CN claimed
CN-102807488-A Hapten and antigen universally used for ether pyrethroid pesticide, and synthesis method and application of hapten and antigen INST AGRO FOOD SCI & TECH CAAS 2012-12-05 — — CN claimed
WO-2001044151-A1 PREPARATION OF 2-(4-ETHOXYPHENYL)-2-METHYLPROPYL ALCOHOL ISAGRO (ASIA) AGROCHEMICALS PRIVATE LIMITED (IN) 2001-06-21 — — WO claimed
JP-58131931-A — — None — — JP disclosed
CN-115557836-A Preparation method of carboxylic acid 云南大学 2023-01-03 — — CN disclosed
CN-112723999-A Synthetic method of 2- (4-ethoxyphenyl) -2-methylpropanol 湖北英纳氏生物科技有限公司 2021-04-30 — — CN disclosed
CN-112723999-A Synthetic method of 2- (4-ethoxyphenyl) -2-methylpropanol 湖北英纳氏生物科技有限公司 2021-04-30 — — CN disclosed
CN-112723999-A Synthetic method of 2- (4-ethoxyphenyl) -2-methylpropanol 湖北英纳氏生物科技有限公司 2021-04-30 — — CN disclosed
CN-207941219-U A kind of 2- (4- ethoxyl phenenyls) -2- methyl-propyl -3- phenoxy benzyl ether desolventizing equipments 连云港市国盛化工有限公司 2018-10-09 — — CN disclosed
CN-108373405-A A kind of 2-(4- ethoxyl phenenyls)The preparation method of -2.2- dimethyl ethanols 连云港市国盛化工有限公司 2018-08-07 — — CN disclosed
US-4873373-A Process for preparation of 3-phenoxybenzyl 2-(4-alkoxyphenyl)-2-methylpropyl ethers MITSUI TOATSU CHEMICALS, INC. (JP) 1989-10-10 — — US disclosed
EP-0219553-A1 PROCESS FOR PREPARING 3-PHENOXYBENZYL 2-(4-ALKOXYPHENYL)-2-METHYLPROPYL ETHERS MITSUI TOATSU CHEMICALS, Inc. (JP) 1987-04-29 — — EP disclosed
EP-0094085-B1 ETHER COMPOUNDS, THEIR PRODUCTION AND AN INSECTICIDAL AND/OR ACARICIDAL COMPOSITION CONTAINING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1986-01-02 — — EP disclosed
US-4562213-A Certain phenoxy-benzyloxy ether derivatives and an insecticidal and/or acaricidal composition containing the same and methods of use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1985-12-31 — — US disclosed
US-4542243-A HALOALKYLATION, ETHERIFICATION, HYDRODEHALOGENATION, INSECTICIDES MITSUI TOATSU CHEMICALS, INC. (JP) 1985-09-17 — — US disclosed
EP-0094085-A1 Ether compounds, their production and an insecticidal and/or acaricidal composition containing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1983-11-16 — — EP disclosed
JP-S58131931-A 2-(4-ETHOXYPHENYL)-2-METHYLPROPYL ALCOHOL AND ITS PREPARATION MITSUI TOATSU CHEM INC 1983-08-06 — — JP disclosed
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