SCHEMBL28501020

SCHEMBL28501020

CN1CCC(OC(=O)c2ccccc2)C(C)(C)C1(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
CHRNA7 P36544 2/20 0.48
HTR3E A5X5Y0 1/20 0.48
HTR3B O95264 1/20 0.48
HTR3A P46098 1/20 0.48
HTR3D Q70Z44 1/20 0.48
HTR3C Q8WXA8 1/20 0.48
SCN1A P35498 2/20 0.46
SCN2A Q99250 2/20 0.46
SCN3A Q9NY46 2/20 0.46
GAA P10253 1/20 0.46
CARM1 Q86X55 1/20 0.45
PRMT6 Q96LA8 1/20 0.45
TSHR P16473 1/20 0.44
CHRM2 P08172 1/20 0.44
CHRM4 P08173 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRM3 P20309 1/20 0.44
CHRNB2 P17787 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
SCHEMBL5031208 0.86 KMT2A (0.49) MEN1KMT2ACHRNA7HTR3EHTR3B
SCHEMBL29022929 0.86 KMT2A (0.49) MEN1KMT2ACHRNA7HTR3EHTR3B
SCHEMBL10338115 0.74 MEN1 (0.51) MEN1KMT2ACHRNA7HTR3EHTR3B
Water SCHEMBL28999761 0.73 MEN1 (0.50) MEN1KMT2ACHRNA7HTR3EHTR3B
SCHEMBL28699769 0.71 GAA (0.50) MEN1KMT2ACHRNA7HTR3EHTR3B
SCHEMBL1839704 0.70 KMT2A (0.97) MEN1KMT2ACHRNA7HTR3EHTR3B
SCHEMBL9370902 0.69 TSHR (0.47) MEN1KMT2ACHRNA7HTR3EHTR3B
SCHEMBL3722353 0.69 TSHR (0.47) MEN1KMT2ACHRNA7HTR3EHTR3B
SCHEMBL309536 0.69 MAPT (0.78) MEN1KMT2AGAAMAPT
SCHEMBL29022975 0.69 MAPT (0.78) MEN1KMT2AGAAMAPT

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-113614138-B Two-component polyurethane coating with improved pot life without loss of weatherability 科思创知识产权两合公司 2024-03-29 CN disclosed
CN-117545788-A Coating composition and coating obtainable therefrom with improved stain resistance and (self) cleaning properties 科思创德国股份有限公司 2024-02-09 CN disclosed
CN-117545786-A Coating composition and coating obtainable therefrom with improved stain resistance and (self) cleaning properties 科思创德国股份有限公司 2024-02-09 CN disclosed
CN-111344328-B Method for manufacturing an article and use of a free radical crosslinkable resin in an additive manufacturing process 科思创德国股份有限公司 2023-05-30 CN disclosed
CN-116088271-A Photosensitive resin composition and dry film resist laminate 杭州福斯特电子材料有限公司 2023-05-09 CN disclosed
CN-112204065-B Process for preparing polyisocyanate polymers and polyisocyanurate plastics 科思创知识产权两合公司 2023-03-28 CN disclosed
CN-112204065-A Process for preparing polyisocyanate polymers and polyisocyanurate plastics 科思创知识产权两合公司 2021-01-08 CN disclosed