SCHEMBL28323255

SCHEMBL28323255

N[C@@H](CO)C(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BCL9 O00512 1/20 0.51
CTNNB1 P35222 1/20 0.51
KMT2A Q03164 2/20 0.50
GAA P10253 1/20 0.50
PKM P14618 1/20 0.50
HTR2A P28223 1/20 0.48
MGLL Q99685 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HGFAC Q04756 1/20 0.45
PTPN7 P35236 1/20 0.44
PTPN12 Q05209 1/20 0.44
PTPN22 Q9Y2R2 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
MAPT P10636 2/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 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
SCHEMBL7787944 0.86 BCL9 (0.57) BCL9CTNNB1KMT2AGAAPKM
SCHEMBL9068344 0.86 BCL9 (0.50) BCL9CTNNB1KMT2AGAAPKM
SCHEMBL6707349 0.85 BCL9 (0.49) BCL9CTNNB1KMT2AGAAPKM
SCHEMBL11796565 0.85 BCL9 (0.49) BCL9CTNNB1KMT2AGAAPKM
SCHEMBL10335399 0.85 BCL9 (0.49) BCL9CTNNB1KMT2AGAAPKM
SCHEMBL11221524 0.84 BCL9 (0.51) BCL9CTNNB1KMT2AGAAPKM
SCHEMBL11221520 0.84 BCL9 (0.51) BCL9CTNNB1KMT2AGAAPKM
SCHEMBL10712258 0.83 BCL9 (0.53) BCL9CTNNB1KMT2AGAAPKM
SCHEMBL6973335 0.82 BCL9 (0.47) BCL9CTNNB1KMT2AGAAPKM
SCHEMBL9840744 0.82 BCL9 (0.50) BCL9CTNNB1KMT2AGAAPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111377839-B Method for preparing 3-phenyl-L-serine or derivative and ethyl ester thereof 苏州引航生物科技有限公司 2022-06-17 CN disclosed
CN-114540335-A Immobilized modified threonine transaldolase and application thereof 湖南引航生物科技有限公司 2022-05-27 CN disclosed
CN-113583989-A Modified threonine transaldolase and application thereof 苏州引航生物科技有限公司 2021-11-02 CN disclosed
CN-111377839-A Method for preparing 3-phenyl-L-serine or derivative and ethyl ester thereof 苏州引航生物科技有限公司 2020-07-07 CN disclosed
CN-110330401-A The synthetic method of benzene serine derivative based on fixed bed reactors 王喆明 2019-10-15 CN disclosed