SCHEMBL30104029

SCHEMBL30104029

CCOC(=O)[C@@H]1Cc2ccccc2N1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.59
MAPT P10636 1/20 0.59
KDM4E B2RXH2 4/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
MAPK1 P28482 1/20 0.45
CYP2C19 P33261 1/20 0.45
HSD17B10 Q99714 1/20 0.45
BRD4 O60885 1/20 0.44
ALDH1A1 P00352 1/20 0.43
MTNR1A P48039 3/20 0.43
NR1D1 P20393 1/20 0.43
MTNR1B P49286 1/20 0.42
RAB9A P51151 1/20 0.41

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
SCHEMBL10334541 1.00 GAA (0.59) GAAMAPTKDM4ECYP1A2CYP2D6
SCHEMBL3255783 1.00 GAA (0.59) GAAMAPTKDM4ECYP1A2CYP2D6
SCHEMBL30213277 1.00 GAA (0.59) GAAMAPTKDM4ECYP1A2CYP2D6
SCHEMBL3182006 1.00 GAA (0.59) GAAMAPTKDM4ECYP1A2CYP2D6
SCHEMBL30562957 1.00 GAA (0.59) GAAMAPTKDM4ECYP1A2CYP2D6
Hydrochloric Acid SCHEMBL4431725 0.98 MAPT (0.58) GAAMAPTKDM4ECYP1A2CYP2D6
Hydrochloric Acid SCHEMBL31207141 0.98 MAPT (0.58) GAAMAPTKDM4ECYP1A2CYP2D6
Hydrochloric Acid SCHEMBL2259403 0.98 MAPT (0.58) GAAMAPTKDM4ECYP1A2CYP2D6
Hydrochloric Acid SCHEMBL10956898 0.97 MAPT (0.56) GAAMAPTKDM4ECYP1A2CYP2D6
Hydrochloric Acid SCHEMBL10956908 0.96 MAPT (0.55) GAAMAPTKDM4ECYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-218372644-U S-shaped spinneret plate for processing elastic fiber 苏州斯宾耐特化纤科技有限公司 2023-01-24 CN claimed
CN-118291824-B Die-casting aluminum magnesium alloy with high bending performance and preparation method and application thereof 小米汽车科技有限公司 2024-08-20 CN disclosed
CN-118291824-A Die-casting aluminum magnesium alloy with high bending performance and preparation method and application thereof 小米汽车科技有限公司 2024-07-05 CN disclosed
CN-116555241-A Immobilized esterase BaCEm taking mesoporous molecular sieve as carrier and preparation method and application thereof 浙江工业大学 2023-08-08 CN disclosed
CN-116287891-B Heat-treatment-free die-casting aluminum alloy and preparation method and application thereof 小米汽车科技有限公司 2023-08-08 CN disclosed
CN-116287891-A Heat-treatment-free die-casting aluminum alloy and preparation method and application thereof 小米汽车科技有限公司 2023-06-23 CN disclosed
CN-109075034-B Method for forming cured product pattern and imprinting pretreatment coating material 佳能株式会社 2023-05-16 CN disclosed
CN-113481181-B Recombinant esterase mutant, gene, engineering bacterium and application of recombinant esterase mutant in splitting (R, S) -indoline-2-ethyl formate 浙江工业大学 2023-02-03 CN disclosed