SCHEMBL68895

SCHEMBL68895

CC(C)C(C(=O)O)c1ccc(O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.51
AKR1C2 P52895 1/20 0.51
ESR1 P03372 5/20 0.50
ESR2 Q92731 4/20 0.50
PDCD1 Q15116 1/20 0.50
CD274 Q9NZQ7 1/20 0.50
CYP2D6 P10635 2/20 0.48
SRC P12931 1/20 0.47
FFAR2 O15552 1/20 0.43
CYP3A4 P08684 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
APP P05067 1/20 0.42
FOLH1 Q04609 1/20 0.41
MET P08581 2/20 0.41
DRD1 P21728 2/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
PGR P06401 1/20 0.40
CHRM2 P08172 1/20 0.40

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
SCHEMBL5517061 1.00 AKR1C3 (0.51) AKR1C3AKR1C2ESR1ESR2PDCD1
SCHEMBL10785204 1.00 AKR1C3 (0.51) AKR1C3AKR1C2ESR1ESR2PDCD1
SCHEMBL6563846 0.89 AKR1C3 (0.55) AKR1C3AKR1C2ESR1ESR2PDCD1
SCHEMBL9701361 0.86 CYP2D6 (0.64) ESR1ESR2PDCD1CD274CYP2D6
SCHEMBL12608892 0.85 ESR1 (0.48) AKR1C3AKR1C2ESR1ESR2PDCD1
SCHEMBL6884698 0.83 AKR1C3 (0.51) AKR1C3AKR1C2CYP2D6FFAR2LMNA
SCHEMBL11315150 0.83 AKR1C3 (0.51) AKR1C3AKR1C2CYP2D6FFAR2LMNA
Hydrochloric Acid SCHEMBL10916853 0.83 AKR1C3 (0.51) AKR1C3AKR1C2CYP2D6FFAR2CYP2C9
SCHEMBL5158960 0.82 CYP2D6 (0.73) AKR1C3AKR1C2CYP2D6SRCLMNA
SCHEMBL66944 0.82 CYP2D6 (0.73) AKR1C3AKR1C2CYP2D6SRCLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1010942-B Synthetic method of cyhalothrin CHENGDU ORGANIC CHEM INST (CN) 1990-12-26 CN claimed
CN-1034708-A A kind of synthetic method of fluoro-Cyano chrysanthemate CHENGDU ORGANIC CHEM INST (CN) 1989-08-16 CN claimed
US-4537988-A INTERMEDIATES FOR PYRETHROID INSECTICIDES AMERICAN CYANAMID COMPANY (US) 1985-08-27 US claimed
EP-0130334-A1 Process for the preparation of 2-(4-hydroxy-phenyl)-3-methylbutyric acid AMERICAN CYANAMID COMPANY (US) 1985-01-09 EP claimed
JP-60006639-A None JP disclosed
JP-58183663-A None JP disclosed
CN-115594848-B Polybenzoxazole precursors and uses thereof 律胜科技股份有限公司 2024-07-02 CN disclosed
US-11976170-B2 Polybenzoxazole precursor and application thereof MICROCOSM TECHNOLOGY CO., LTD. (TW) 2024-05-07 US disclosed
US-20230041833-A1 Polybenzoxazole Precursor and Application Thereof MICROCOSM TECHNOLOGY CO., LTD. (TW) 2023-02-09 US disclosed
CN-115594848-A Polybenzoxazole precursor and use thereof 律胜科技股份有限公司(TW) 2023-01-13 CN disclosed
CN-114085619-B High-temperature-resistant low-adhesion optical adhesive and preparation method thereof 泰州亚德胶粘制品有限公司 2022-07-15 CN disclosed
CN-114085619-A High-temperature-resistant low-adhesion optical adhesive and preparation method thereof 泰州亚德胶粘制品有限公司 2022-02-25 CN disclosed
US-4390723-A BIS(8-QUINOLINOLATE) COPPER COMPLEX CATALYST IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 1983-06-28 US disclosed
EP-0076364-A2 Method for the alkylation of phenylacetonitriles AMERICAN CYANAMID COMPANY (US) 1983-04-13 EP disclosed
US-4377531-A IN PRESENCE OF PARTICULATE SODIUM OR POTASSIUM HYDROXIDE AMERICAN CYANAMID COMPANY (US) 1983-03-22 US disclosed
EP-0062440-A1 Process for preparing phenylalkanoic acids and derivatives of benzoxazole therefrom ELI LILLY AND COMPANY (US) 1982-10-13 EP disclosed
US-4307036-A Method for preparing a mixture of stereoisomers of α-cyano-3-phenoxybenzyl 2-(4-substituted-phenyl)isovalerates SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1981-12-22 US disclosed
US-4239777-A INSECTICIDE, MITICIDES AMERICAN CYANAMID COMPANY (US) 1980-12-16 US disclosed
US-4199595-A M-phenoxybenzyl and α-cyano-M-phenoxybenzyl esters of 2-haloalkyl (oxy-, thio-, sulfinyl-, or sulfonyl)phenylalkanoic acids AMERICAN CYANAMID COMPANY (US) 1980-04-22 US disclosed
US-4178460-A INTERMEDIATES FOR INSECTICIDES AMERICAN CYANAMID CO. (US) 1979-12-11 US disclosed