SCHEMBL28517396

SCHEMBL28517396

Cc1cccc(C)c1OC(=O)CCN

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.59
L3MBTL1 Q9Y468 2/20 0.54
KMT2A Q03164 3/20 0.51
ATM Q13315 1/20 0.51
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 2/20 0.43
HPGD P15428 2/20 0.43
HSD17B10 Q99714 1/20 0.43
PTPN1 P18031 1/20 0.41
TSHR P16473 3/20 0.41
SCN4A P35499 5/20 0.41
LMNA P02545 2/20 0.39
SCN1A P35498 2/20 0.39
SCN5A Q14524 2/20 0.39
SCN9A Q15858 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39

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
Hydrochloric Acid SCHEMBL2000008 0.90 SMN1; SMN2 (0.53) SMN1; SMN2L3MBTL1KMT2AATMMEN1
SCHEMBL12740027 0.90 SMN1; SMN2 (0.49) SMN1; SMN2L3MBTL1KMT2AATMMEN1
SCHEMBL2058958 0.85 SMN1; SMN2 (0.59) SMN1; SMN2L3MBTL1KMT2AATMMEN1
SCHEMBL10792928 0.85 SMN1; SMN2 (0.59) SMN1; SMN2L3MBTL1KMT2AATMMEN1
Hydrochloric Acid SCHEMBL7314768 0.85 SMN1; SMN2 (0.59) SMN1; SMN2L3MBTL1KMT2AATMMEN1
SCHEMBL2000580 0.83 SMN1; SMN2 (0.57) SMN1; SMN2L3MBTL1KMT2AATMMEN1
SCHEMBL10470330 0.81 SMN1; SMN2 (0.56) SMN1; SMN2L3MBTL1KMT2AATMMEN1
SCHEMBL27837177 0.80 SMN1; SMN2 (0.54) SMN1; SMN2L3MBTL1KMT2AATMMEN1
SCHEMBL10469630 0.80 SMN1; SMN2 (0.54) SMN1; SMN2L3MBTL1KMT2AATMMEN1
SCHEMBL1751993 0.80 SMN1; SMN2 (0.62) SMN1; SMN2L3MBTL1KMT2AATMMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115976127-A Application of Bacillus aryabhattai in preparation of (R) -DMPM 浙江工业大学 2023-04-18 CN claimed
CN-112195170-B Immobilized recombinant esterase and application thereof in preparing R-2, 6-dimethylphenyl aminopropionic acid 浙江工业大学 2023-01-10 CN claimed
CN-113667704-A Method for preparing (R) -N- (2, 6-dimethylphenyl) methyl aminopropionate by two-step enzyme method 浙江工业大学 2021-11-19 CN claimed
CN-118086121-A Burkholderia and application thereof in catalytic chiral resolution 浙江工业大学 2024-05-28 CN disclosed
CN-115976127-A Application of Bacillus aryabhattai in preparation of (R) -DMPM 浙江工业大学 2023-04-18 CN disclosed
CN-115976127-A Application of Bacillus aryabhattai in preparation of (R) -DMPM 浙江工业大学 2023-04-18 CN disclosed
CN-112195170-B Immobilized recombinant esterase and application thereof in preparing R-2, 6-dimethylphenyl aminopropionic acid 浙江工业大学 2023-01-10 CN disclosed
CN-112195170-B Immobilized recombinant esterase and application thereof in preparing R-2, 6-dimethylphenyl aminopropionic acid 浙江工业大学 2023-01-10 CN disclosed
CN-112195170-B Immobilized recombinant esterase and application thereof in preparing R-2, 6-dimethylphenyl aminopropionic acid 浙江工业大学 2023-01-10 CN disclosed
CN-113667704-A Method for preparing (R) -N- (2, 6-dimethylphenyl) methyl aminopropionate by two-step enzyme method 浙江工业大学 2021-11-19 CN disclosed
CN-113667704-A Method for preparing (R) -N- (2, 6-dimethylphenyl) methyl aminopropionate by two-step enzyme method 浙江工业大学 2021-11-19 CN disclosed
CN-112195170-A Immobilized recombinant esterase and application thereof in preparing R-2, 6-dimethylphenyl aminopropionic acid 浙江工业大学 2021-01-08 CN disclosed
CN-112195170-A Immobilized recombinant esterase and application thereof in preparing R-2, 6-dimethylphenyl aminopropionic acid 浙江工业大学 2021-01-08 CN disclosed
CN-112195170-A Immobilized recombinant esterase and application thereof in preparing R-2, 6-dimethylphenyl aminopropionic acid 浙江工业大学 2021-01-08 CN disclosed