SCHEMBL29199347

SCHEMBL29199347

O=C(O)CC(=O)C(Cl)CC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.40
SRR Q9GZT4 1/20 0.40
SLC22A6 Q4U2R8 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
MAPT P10636 1/20 0.34
GABRR1 P24046 2/20 0.33
LMNA P02545 2/20 0.33
TSHR P16473 2/20 0.32
FOLH1 Q04609 1/20 0.31
ALOX15 P16050 1/20 0.30
CYP2C9 P11712 1/20 0.30

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
SCHEMBL357107 0.77 LDHA (0.38) LDHASRRLMNATSHRCYP2C9
SCHEMBL355795 0.77 LDHA (0.38) LDHASRRLMNATSHRCYP2C9
SCHEMBL640316 0.75
SCHEMBL7814132 0.75
SCHEMBL2782669 0.75
SCHEMBL1940538 0.75
SCHEMBL10777977 0.73 HDAC1 (0.41) LDHASRRTDP1TSHR
SCHEMBL7934102 0.72 TDP1 (0.48) SLC22A6TDP1SMN1; SMN2MAPTGABRR1
SCHEMBL4128955 0.72
Ammonia Solution, Strong SCHEMBL8428638 0.72 TDP1 (0.55) SLC22A6TDP1SMN1; SMN2MAPTGABRR1

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
CN-117947009-A Diuron degrading enzyme and cloning, expression and application thereof 华中农业大学 2024-04-30 CN disclosed