SCHEMBL28040969

SCHEMBL28040969

Cc1cccc(C)c1NCCC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.50
ITGAV P06756 1/20 0.50
ALDH1A1 P00352 5/20 0.47
KMT2A Q03164 4/20 0.47
HPGD P15428 3/20 0.47
HSD17B10 Q99714 2/20 0.47
KDM4E B2RXH2 2/20 0.47
TSHR P16473 1/20 0.46
PTGS2 P35354 2/20 0.46
GRIN2D O15399 1/20 0.46
GRIN3B O60391 1/20 0.46
GRIN1 Q05586 1/20 0.46
GRIN2A Q12879 1/20 0.46
GRIN2B Q13224 1/20 0.46
GRIN2C Q14957 1/20 0.46
GRIN3A Q8TCU5 1/20 0.46
P2RX7 Q99572 1/20 0.45
POLB P06746 3/20 0.45
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 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
SCHEMBL1842965 0.83 HDAC3 (0.44) ALDH1A1KMT2APTGS2GRIN2DGRIN3B
SCHEMBL27691961 0.81 TOP2A (0.46) ALDH1A1KMT2AHSD17B10TSHRP2RX7
SCHEMBL2582559 0.80 PTGS2 (0.49) ITGB3ITGAVALDH1A1KMT2APTGS2
SCHEMBL31139405 0.79 ITGB3 (0.66) ITGB3ITGAVALDH1A1KMT2AHPGD
SCHEMBL3205146 0.79 ITGB3 (0.66) ITGB3ITGAVALDH1A1KMT2AHPGD
SCHEMBL9830020 0.79 TOP2A (0.61) ALDH1A1HSD17B10
SCHEMBL5470918 0.79 ITGB3 (0.69) ITGB3ITGAVKMT2AHSD17B10TSHR
SCHEMBL5840221 0.79 MAPT (0.54) ALDH1A1KMT2ATSHRGRIN2DGRIN3B
Bromide SCHEMBL2582738 0.78 PTGS2 (0.47) ITGB3ITGAVALDH1A1KMT2APTGS2
Hydrochloric Acid SCHEMBL10912163 0.78 ITGB3 (0.64) ITGB3ITGAVALDH1A1KMT2AHPGD

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
CN-118086121-A Burkholderia and application thereof in catalytic chiral resolution 浙江工业大学 2024-05-28 CN claimed
CN-115976127-A Application of Bacillus aryabhattai in preparation of (R) -DMPM 浙江工业大学 2023-04-18 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-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 claimed
CN-105779409-B A kind of stereoselectivity esterase, encoding gene, carrier, engineering bacteria and its application 浙江工业大学 2019-11-29 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-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-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-105779409-A Stereoselective esterase, coding gene, vector, engineering bacterium and application of stereoselective esterase 浙江工业大学 2016-07-20 CN disclosed
CN-105779409-A Stereoselective esterase, coding gene, vector, engineering bacterium and application of stereoselective esterase 浙江工业大学 2016-07-20 CN disclosed
CN-105112385-A Recombinant esterase, coding gene, carrier, engineering bacterium and application UNIV ZHEJIANG TECHNOLOGY 2015-12-02 CN disclosed