SCHEMBL23317779

SCHEMBL23317779

CCOC(=O)/C(=C/c1ccc(O)c(OCc2ccccc2N)c1)NC(C)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.46
KMT2A Q03164 6/20 0.46
TOP2A P11388 1/20 0.42
ALDH1A1 P00352 5/20 0.41
MAPT P10636 4/20 0.41
TRPA1 O75762 1/20 0.40
MAOB P27338 1/20 0.38
KLK7 P49862 1/20 0.38
ST14 Q9Y5Y6 1/20 0.38
ALPI P09923 1/20 0.38
ALPG P10696 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
RECQL P46063 1/20 0.37
GAA P10253 2/20 0.37
RAB9A P51151 1/20 0.37
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
KDM4E B2RXH2 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL23317849 0.74 ALDH1A1 (0.56) MEN1KMT2ATOP2AALDH1A1MAPT
SCHEMBL7061481 0.74 MEN1 (0.53) MEN1KMT2AALDH1A1MAOBRECQL
SCHEMBL7061484 0.74 MEN1 (0.53) MEN1KMT2AALDH1A1MAOBRECQL
SCHEMBL23317843 0.72 TACR1 (0.47) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL25669500 0.70 MEN1 (0.58) MEN1KMT2AALDH1A1MAPTMAOB
SCHEMBL25669761 0.69 MEN1 (0.55) MEN1KMT2AALDH1A1MAPTL3MBTL1
SCHEMBL11215434 0.68 ALDH1A1 (0.47) MEN1KMT2AALDH1A1MAPTMAOB
SCHEMBL12766619 0.68 MAPT (0.64) MEN1KMT2AALDH1A1MAPTTRPA1
SCHEMBL11215432 0.68 ALDH1A1 (0.47) MEN1KMT2AALDH1A1MAPTMAOB
SCHEMBL30883297 0.68 MAPT (0.58) MEN1KMT2ATOP2AALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021083459-A1 PROCESS FOR THE SYNTHESIS OF DOPA COMPRISING A PHOTOLABILE PROTECTIVE GROUP, AND INTERMEDIATES FOR THE PREPARATION THEREOF CHIRACON GMBH (DE) 2021-05-06 WO disclosed