SCHEMBL22129869

SCHEMBL22129869

CCCCCCCCOC(=O)c1ccc2nn(-c3cc(OC)c(OC)cc3O)nc2c1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.54
KDM4E B2RXH2 1/20 0.48
POLB P06746 1/20 0.48
ESR1 P03372 2/20 0.47
AKR1C4 P17516 1/20 0.47
AKR1C3 P42330 1/20 0.47
AKR1C2 P52895 1/20 0.47
AKR1C1 Q04828 1/20 0.47
SIRT2 Q8IXJ6 1/20 0.47
TLR2 O60603 1/20 0.45
TLR1 Q15399 1/20 0.45
TLR6 Q9Y2C9 1/20 0.45
CNR1 P21554 1/20 0.45
CNR2 P34972 1/20 0.45
STS P08842 5/20 0.45

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
SCHEMBL22129878 0.96 KDM4E (0.50) HDAC6KDM4EPOLBESR1SIRT2
SCHEMBL30162729 0.96 KDM4E (0.50) HDAC6KDM4EPOLBESR1SIRT2
SCHEMBL28959412 0.88 STS (0.48) HDAC6ESR1AKR1C4AKR1C3AKR1C2
SCHEMBL22129848 0.85 STS (0.45) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL29881106 0.84 STS (0.49) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL21630161 0.84 STS (0.49) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL3268140 0.84 ESR1 (0.50) ESR1CNR1CNR2STS
SCHEMBL30162783 0.83 ESR1 (0.45) HDAC6ESR1AKR1C4AKR1C3AKR1C2
SCHEMBL22129852 0.83 ESR1 (0.45) HDAC6ESR1AKR1C4AKR1C3AKR1C2
SCHEMBL22129896 0.83 MAPT (0.46) HDAC6KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3901180-B1 CURABLE COMPOSITION FOR OPTICAL MATERIALS, AND OPTICAL MATERIAL TOKUYAMA CORP (JP) 2024-12-11 EP disclosed
US-12077623-B2 Curable composition for optical materials, and optical material TOKUYAMA CORPORATION (JP) 2024-09-03 US disclosed
US-12054568-B2 Optical material composition and optical material TOKUYAMA CORPORATION (JP) 2024-08-06 US disclosed
CN-113227158-B Curable composition for optical material and optical material 株式会社德山 2023-04-25 CN disclosed
CN-113166311-B Composition for optical material and optical material 株式会社德山 2023-01-06 CN disclosed
US-20220056170-A1 OPTICAL MATERIAL COMPOSITION AND OPTICAL MATERIAL TOKUYAMA CORPORATION (JP) 2022-02-24 US disclosed
US-20220056187-A1 CURABLE COMPOSITION FOR OPTICAL MATERIALS, AND OPTICAL MATERIAL TOKUYAMA CORPORATION (JP) 2022-02-24 US disclosed
EP-3901180-A1 CURABLE COMPOSITION FOR OPTICAL MATERIALS, AND OPTICAL MATERIAL Tokuyama Corporation (JP) 2021-10-27 EP disclosed
EP-3901184-A1 OPTICAL MATERIAL COMPOSITION AND OPTICAL MATERIAL Tokuyama Corporation (JP) 2021-10-27 EP disclosed
CN-113227158-A Curable composition for optical material and optical material 株式会社德山 2021-08-06 CN disclosed
CN-113166311-A Composition for optical material and optical material 株式会社德山 2021-07-23 CN disclosed
WO-2020129933-A1 OPTICAL MATERIAL COMPOSITION AND OPTICAL MATERIAL 株式会社トクヤマ 2020-06-25 WO disclosed
WO-2020129930-A1 CURABLE COMPOSITION FOR OPTICAL MATERIALS, AND OPTICAL MATERIAL 株式会社トクヤマ 2020-06-25 WO disclosed