SCHEMBL9714209

SCHEMBL9714209

CCCS(=O)(=O)OC(C)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.33
AKR1A1 P14550 1/20 0.33
CHRM3 P20309 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
ADRA1A P35348 1/20 0.33
HRH1 P35367 1/20 0.33
DRD3 P35462 1/20 0.33
SLC6A3 Q01959 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PTGDR2 Q9Y5Y4 2/20 0.32
PMP22 Q01453 1/20 0.31
GCLC P48506 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
SCHEMBL9714082 0.88 MAPK1 (0.35)
SCHEMBL5806254 0.86 ACE2 (0.38)
SCHEMBL5803689 0.86 ACE2 (0.38)
SCHEMBL8039764 0.85 TDP1 (0.34) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL9714156 0.85 TDP1 (0.34) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL31573213 0.85 TDP1 (0.34) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL576042 0.84 ALDH1A1 (0.32)
SCHEMBL14778297 0.75 CA2 (0.42)
SCHEMBL8710846 0.75 ALDH1A1 (0.43)
SCHEMBL29154934 0.74 TSHR (0.38)

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
US-5079384-A Weed killers, destroy broad leaf plants, postemergence BAYER AKTIENGESELLSCHAFT (DE) 1992-01-07 US disclosed
US-5041609-A Plant growth regulators BAYER AKTIENGESELLSCHAFT (DE) 1991-08-20 US disclosed