SCHEMBL29033866

SCHEMBL29033866

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

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.58
CA2 P00918 7/20 0.52
CA1 P00915 5/20 0.52
MMP2 P08253 2/20 0.50
MMP9 P14780 2/20 0.50
NAALAD2 Q9Y3Q0 3/20 0.44
GAA P10253 1/20 0.43
MME P08473 1/20 0.41
ECE1 P42892 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
FOLH1 Q04609 1/20 0.40
C3AR1 Q16581 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
SCHEMBL5260684 0.84 CA2 (0.70) KMT2ACA2CA1MMP2MMP9
SCHEMBL5260686 0.84 CA2 (0.70) KMT2ACA2CA1MMP2MMP9
SCHEMBL2246061 0.78 CA2 (0.69) KMT2ACA2CA1MMP2MMP9
SCHEMBL2245325 0.78 CA2 (0.69) KMT2ACA2CA1MMP2MMP9
SCHEMBL6256233 0.77 CA2 (0.54) KMT2ACA2CA1MMP2MMP9
SCHEMBL2248738 0.77 HPGDS (0.60) KMT2ACA2CA1MMP2MMP9
SCHEMBL11519163 0.77 CA2 (0.60) KMT2ACA2CA1C3AR1
SCHEMBL19246833 0.76 MME (0.58) CA2CA1NAALAD2MMEL3MBTL1
SCHEMBL2242569 0.76 CA2 (0.63) KMT2ACA2CA1C3AR1
SCHEMBL20334999 0.76 KMT2A (0.74) KMT2ACA2CA1MMP2MMP9

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