Dehydrophenylalanine Methyl Ester

Dehydrophenylalanine Methyl Ester

SCHEMBL6947584

COC(=O)/C(N)=C/c1ccccc1

nearest known ligand 0.69

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Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
AKR1C3 P42330 1/20 0.47
MCL1 Q07820 1/20 0.44
RECQL P46063 1/20 0.44
MAPT P10636 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TSHR P16473 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
Dehydrophenylalanine Methyl Ester SCHEMBL6947585 1.00 MEN1 (0.49) MEN1KMT2AAKR1C3MCL1RECQL
Dehydrophenylalanine Methyl Ester SCHEMBL27965511 0.98 MEN1 (0.47) MEN1KMT2AAKR1C3MCL1RECQL
Dehydrophenylalanine Methyl Ester SCHEMBL27534487 0.87 MEN1 (0.46) MEN1KMT2AAKR1C3RECQLALDH1A1
SCHEMBL10809742 0.86 MEN1 (0.44) MEN1KMT2AAKR1C3MCL1RECQL
SCHEMBL8366934 0.82 NPSR1 (0.47) NPSR1ALDH1A1
SCHEMBL77732 0.82 MEN1 (0.63) MEN1KMT2AAKR1C3MAPTNPSR1
SCHEMBL5614482 0.80 KMT2A (0.45) MEN1KMT2AAKR1C3MCL1RECQL
SCHEMBL12449471 0.80 MEN1 (0.72) MEN1KMT2AMAPTNPSR1ALDH1A1
SCHEMBL11136280 0.80 MEN1 (0.72) MEN1KMT2AMAPTNPSR1ALDH1A1
SCHEMBL1221498 0.80 MEN1 (0.52) MEN1KMT2AAKR1C3RECQLMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011098160-A1 ENANTIOMERICALLY ENRICHED AMINODIPHOSPHINES AS LIGANDS FOR THE PREPARATION OF CATALYSTS FOR ASYMMETRIC SYNTHESIS ENANTIA, S.L. (ES) 2011-08-18 WO disclosed
EP-1709054-B1 METALLOCENE-BASED CHIRAL PHOSPHINE OR ARSINE LIGANDS PHOENIX CHEMICALS LTD (GB) 2009-03-04 EP disclosed
EP-1335898-A1 CARBAMIC ACID COMPOUNDS COMPRISING AN AMIDE LINKAGE AS HDAC INHIBITORS Prolifix Limited (GB) 2003-08-20 EP disclosed
WO-2002026696-A1 CARBAMIC ACID COMPOUNDS COMPRISING AN AMIDE LINKAGE AS HDAC INHIBITORS PROLIFIX LIMITED (GB) 2002-04-04 WO disclosed