SCHEMBL7057266

SCHEMBL7057266

O=C(O)CC1C(=O)NCC(=O)N1Cc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 4/20 0.62
HDAC6 Q9UBN7 4/20 0.62
HDAC2 Q92769 3/20 0.62
ALDH1A1 P00352 7/20 0.49
TSHR P16473 3/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
GSK3A P49840 1/20 0.48
GSK3B P49841 1/20 0.48
POLB P06746 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 2/20 0.42
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ITGB3 P05106 2/20 0.40
ITGAV P06756 2/20 0.40
HDAC1 Q13547 1/20 0.40

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
SCHEMBL6007674 1.00 HDAC8 (0.62) HDAC8HDAC6HDAC2ALDH1A1TSHR
SCHEMBL29164941 0.86 HDAC2 (0.59) HDAC8HDAC6HDAC2ALDH1A1TSHR
SCHEMBL29164939 0.86 HDAC2 (0.59) HDAC8HDAC6HDAC2ALDH1A1TSHR
SCHEMBL21563554 0.86 HDAC8 (0.61) HDAC8HDAC6HDAC2ALDH1A1TSHR
SCHEMBL8066345 0.86 HDAC8 (0.61) HDAC8HDAC6HDAC2ALDH1A1TSHR
SCHEMBL2079073 0.86 HDAC8 (0.61) HDAC8HDAC6HDAC2ALDH1A1TSHR
SCHEMBL23513227 0.83 HDAC8 (0.59) HDAC8HDAC6HDAC2ALDH1A1TSHR
SCHEMBL23496820 0.83 HDAC8 (0.59) HDAC8HDAC6HDAC2ALDH1A1TSHR
SCHEMBL16700836 0.83 HDAC8 (0.58) HDAC8HDAC6HDAC2ALDH1A1TSHR
SCHEMBL23058167 0.83 HDAC2 (0.58) HDAC8HDAC6HDAC2ALDH1A1GSK3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024041661-A1 CYCLIN MODULATOR 嘉兴优博生物技术有限公司 2024-02-29 WO disclosed
EP-0976761-B1 Isolation of crystals of alpha-L-aspartyl-L-phenylalanine methyl ester DAESANG CORP (KR) 2003-05-21 EP disclosed
US-6127569-A Crystallization of α-L-aspartyl-L-phenylalanine methyl ester DAESANG CORPORATION (KR) 2000-10-03 US disclosed
US-6100422-A Crystallization of alpha-L-aspartyl-L-phenylalanine methyl esther DAESANG CORPORATION (KR) 2000-08-08 US disclosed
US-6090972-A TEMPERATURE DIFFERENCE BETWEEN THE ASPARTAME SOLUTION AND THE COOLANT REMAINS SUBSTANTIALLY CONSTANT AS THE COOLING OF THE ASPARTAME SOLUTION PROCEEDS. DAESANG CORPORATION (KR) 2000-07-18 US disclosed
EP-0978518-A1 Crystallization of alpha-L-aspartyl-L-phenylalanine methyl ester by vaporization of droplets of slurry through a layer of cold air Daesang Corporation (KR) 2000-02-09 EP disclosed
EP-0976762-A1 Crystallization of Alpha-L-aspartyl-L-phenylalanine methyl ester Daesang Corporation (KR) 2000-02-02 EP disclosed
EP-0976761-A1 Isolation of crystals of alpha-L-aspartyl-L-phenylalanine methyl ester Daesang Corporation (KR) 2000-02-02 EP disclosed
EP-0405273-A2 Method for producing readily soluble crystalline alfa-L-aspartyl-L-phenylalanine methyl ester MITSUI TOATSU CHEMICALS, Inc. (JP) 1991-01-02 EP disclosed
EP-0300450-A2 Method for producing alpha-L-aspartyl-L-phenylalanine methyl ester hydrochloride AJINOMOTO CO., INC. (JP) 1989-01-25 EP disclosed