SCHEMBL4175638

SCHEMBL4175638

CC(N)(O)C(O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.68
KDM4E B2RXH2 1/20 0.68
HPGD P15428 1/20 0.54
MAPT P10636 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA9 Q16790 2/20 0.45
NPC1 O15118 1/20 0.45
CA12 O43570 1/20 0.45
CA14 Q9ULX7 1/20 0.45
TSHR P16473 2/20 0.44
MAPK1 P28482 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
PHLPP2 Q6ZVD8 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ACHE P22303 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
SCHEMBL14478233 0.88 ALDH1A1 (0.70) ALDH1A1KDM4EHPGDMAPTMEN1
SCHEMBL16651165 0.86 ALDH1A1 (0.72) ALDH1A1KDM4EHPGDMAPTMEN1
SCHEMBL9160028 0.82 ALDH1A1 (0.62) ALDH1A1KDM4EHPGDMAPTMEN1
SCHEMBL27694357 0.80 ALDH1A1 (0.64) ALDH1A1KDM4EHPGDMAPTMEN1
SCHEMBL809480 0.78 ALDH1A1 (0.66) ALDH1A1KDM4EHPGDMAPTMEN1
SCHEMBL812445 0.78 ALDH1A1 (0.66) ALDH1A1KDM4EHPGDMAPTMEN1
SCHEMBL4416356 0.77 ALDH1A1 (0.51) ALDH1A1KDM4EHPGDMAPTMEN1
SCHEMBL4743348 0.77 ALDH1A1 (0.62) ALDH1A1KDM4EHPGDMAPTMEN1
SCHEMBL10892501 0.77 ALDH1A1 (0.64) ALDH1A1KDM4EHPGDMAPTMEN1
SCHEMBL1814058 0.77 ALDH1A1 (0.64) ALDH1A1KDM4EHPGDMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112513010-B Enzymatic process for preparing droxidopa 意大利合成制造有限公司 2023-05-23 CN disclosed
CN-112513010-A Enzymatic method for preparing droxidopa 意大利合成制造有限公司 2021-03-16 CN disclosed
EP-2078025-A2 PROCESS FOR THE SYNTHESIS OF CLOPIDOGREL AND NEW FORMS OF PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF KRKA, tovarna zdravil, d.d., Novo mesto (SI) 2009-07-15 EP disclosed
WO-2008034912-A2 PROCESS FOR THE SYNTHESIS OF CLOPIDOGREL AND NEW FORMS OF PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF KRKA, TOVARNA ZDRAVIL, D.D., NOVO MESTO (SI) 2008-03-27 WO disclosed
WO-1993012091-A1 D- AND L-1,2,3,4-TETRAHYDRO-ISOQUINOLINE-1-CARBOXYLIC ACIDS AND THEIR DERIVATIVES CONTAINING URETHANE-TYPE N-PROTECTING GROUPS AS WELL AS A PROCESS FOR PREPARING THEM AND THE CORRESPONDING RACEMATES Gyógyszerkutató Intézet Kft. (HU) 1993-06-24 WO disclosed
US-4625054-A Process for the resolution of (+)-6-methoxy-α-methyl-2-naphthaleneacetic acid into the corresponding enantiomers SECIFARMA S.P.A. (IT) 1986-11-25 US disclosed