SCHEMBL29033834

SCHEMBL29033834

CC(O)C(=O)N(c1ccccc1)C(CCC(N)=O)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KMT2A Q03164 2/20 0.36
MMP2 P08253 2/20 0.36
MMP9 P14780 2/20 0.36
ALOX5 P09917 1/20 0.36
CTSD P07339 2/20 0.35
CTSE P14091 2/20 0.35
BACE1 P56817 2/20 0.35
BLM P54132 2/20 0.34
PMP22 Q01453 2/20 0.34
ALOX15 P16050 1/20 0.34
HDAC3 O15379 2/20 0.33
HDAC4 P56524 2/20 0.33
HDAC1 Q13547 2/20 0.33
HDAC7 Q8WUI4 2/20 0.33
HDAC2 Q92769 2/20 0.33
HDAC10 Q969S8 2/20 0.33

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
SCHEMBL11144130 0.89 ALDH1A1 (0.42) ALDH1A1LMNATP53SMN1; SMN2POLB
SCHEMBL7342248 0.84 ALDH1A1 (0.40) ALDH1A1LMNATP53SMN1; SMN2KMT2A
SCHEMBL7342254 0.84 ALDH1A1 (0.40) ALDH1A1LMNATP53SMN1; SMN2KMT2A
SCHEMBL28294340 0.84 KMT2A (0.40) ALDH1A1LMNATP53SMN1; SMN2KMT2A
SCHEMBL11144113 0.83 LMNA (0.40) ALDH1A1LMNATP53SMN1; SMN2HDAC3
SCHEMBL6464595 0.83 ALDH1A1 (0.39) ALDH1A1LMNATP53SMN1; SMN2KMT2A
SCHEMBL7345170 0.83 MMP2 (0.40) ALDH1A1LMNATP53SMN1; SMN2KMT2A
SCHEMBL11140560 0.82 HDAC3 (0.40) ALDH1A1LMNATP53SMN1; SMN2HDAC3
SCHEMBL6535237 0.82 SMN1; SMN2 (0.41) ALDH1A1LMNATP53SMN1; SMN2KMT2A
SCHEMBL11149216 0.81 HDAC3 (0.42) ALDH1A1LMNATP53SMN1; SMN2HDAC3

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