SCHEMBL29033836

SCHEMBL29033836

CC(O)(C(=O)N[C@@H](CCC(N)=O)C(=O)O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.53
MMP2 P08253 2/20 0.46
MMP9 P14780 2/20 0.46
CA2 P00918 5/20 0.45
CA1 P00915 4/20 0.45
NPSR1 Q6W5P4 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.43
CASP1 P29466 1/20 0.42
CASP3 P42574 1/20 0.42
CASP7 P55210 1/20 0.42
CASP8 Q14790 1/20 0.42
MME P08473 1/20 0.41
ACE P12821 1/20 0.41
ACE2 Q9BYF1 1/20 0.41
NAALAD2 Q9Y3Q0 2/20 0.41
GAA P10253 1/20 0.40
AR P10275 1/20 0.40
PYGL P06737 1/20 0.39
ADAMTS4 O75173 1/20 0.39
ADAMTS5 Q9UNA0 1/20 0.39

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
SCHEMBL28171401 0.80 KMT2A (0.47) KMT2AMMP2MMP9CA2CA1
SCHEMBL26929693 0.80 NPSR1 (0.40) KMT2AMMP2MMP9NPSR1CASP1
SCHEMBL26929567 0.80 NPSR1 (0.40) KMT2AMMP2MMP9NPSR1CASP1
SCHEMBL26929563 0.80 NPSR1 (0.40) KMT2AMMP2MMP9NPSR1CASP1
SCHEMBL2248455 0.79 KMT2A (0.50) KMT2AMMP2MMP9CA2CA1
SCHEMBL2021994 0.76 KMT2A (0.52) KMT2AMMP2MMP9CA2CA1
SCHEMBL5495801 0.76 KMT2A (0.52) KMT2AMMP2MMP9CA2CA1
SCHEMBL27717200 0.76 KMT2A (0.52) KMT2AMMP2MMP9CA2CA1
SCHEMBL6376358 0.75 KMT2A (0.44) KMT2AMMP2MMP9CA2CA1
SCHEMBL5260686 0.74 CA2 (0.70) KMT2AMMP2MMP9CA2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116429952-B Depression marker, application thereof in depression diagnosis and evaluation device 深圳市第二人民医院(深圳市转化医学研究院) 2024-02-02 CN disclosed
CN-116429952-A Depression marker, application thereof in depression diagnosis and evaluation device 深圳市第二人民医院(深圳市转化医学研究院) 2023-07-14 CN disclosed