SCHEMBL11756670

SCHEMBL11756670

Oc1ccc(C(F)(F)F)cc1.[Na]

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.80
ESR1 P03372 3/20 0.59
ESR2 Q92731 3/20 0.59
PTGS1 P23219 2/20 0.53
NQO2 P16083 1/20 0.53
PTGS2 P35354 1/20 0.53
LMNA P02545 3/20 0.50
TSHR P16473 2/20 0.50
TYR P14679 2/20 0.50
CYP3A4 P08684 2/20 0.50
HPGD P15428 2/20 0.50
HSD17B10 Q99714 2/20 0.50
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
ORAI1 Q96D31 1/20 0.50
ORAI2 Q96SN7 1/20 0.50
ORAI3 Q9BRQ5 1/20 0.50
TRPV6 Q9H1D0 1/20 0.50
P4HB P07237 1/20 0.50
CYP1A1 P04798 1/20 0.50

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
SCHEMBL57109 0.97 KIF11 (0.84) KIF11ESR1ESR2PTGS1NQO2
Hydrochloric Acid SCHEMBL18955872 0.94 KIF11 (0.80) KIF11ESR1ESR2PTGS1NQO2
SCHEMBL27509291 0.94 KIF11 (0.80) KIF11ESR1ESR2PTGS1NQO2
Hydrochloric Acid SCHEMBL29242575 0.94 KIF11 (0.80) KIF11ESR1ESR2PTGS1NQO2
Potassium SCHEMBL30655561 0.94 KIF11 (0.80) KIF11ESR1ESR2PTGS1NQO2
SCHEMBL28039722 0.94 KIF11 (0.80) KIF11ESR1ESR2PTGS1NQO2
Cyclohexane SCHEMBL28939325 0.89 KIF11 (0.73) KIF11ESR1ESR2PTGS1NQO2
SCHEMBL12675678 0.89 KIF11 (1.00) KIF11ESR1ESR2PTGS1NQO2
SCHEMBL678508 0.89 KIF11 (1.00) KIF11ESR1ESR2PTGS1NQO2
Phenol SCHEMBL28745379 0.87 KIF11 (0.70) KIF11ESR1ESR2PTGS1NQO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114989408-B Solid phase catalyst for carbon dioxide/epoxy compound copolymerization and preparation method thereof 郑州大学 2023-04-25 CN claimed
CN-114989408-A Solid-phase catalyst for carbon dioxide/epoxy compound copolymerization and preparation method thereof 郑州大学 2022-09-02 CN claimed
CN-114989408-B Solid phase catalyst for carbon dioxide/epoxy compound copolymerization and preparation method thereof 郑州大学 2023-04-25 CN disclosed
CN-114989408-A Solid-phase catalyst for carbon dioxide/epoxy compound copolymerization and preparation method thereof 郑州大学 2022-09-02 CN disclosed
CN-102675062-A Method for preparing difluoromethoxy bridge type liquid crystal SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIALS CO LTD 2012-09-19 CN disclosed
CN-1327383-A Pharmaceutical for treatment of neurological and neuropsychiatric disorders ALERICS NEUROSCIENCE CO (US) 2001-12-19 CN disclosed
US-4031232-A 1-Alkyl-2-(phenoxymethyl)-5-nitro-imidazoles and process for their manufacture HOECHST AKTIENGESELLSCHAFT (DT) 1977-06-21 US disclosed