SCHEMBL7770762

SCHEMBL7770762

CCC(C(C)=O)C(C(C)=O)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.39
CHRM1 P11229 1/20 0.39
AKR1A1 P14550 1/20 0.39
CHRM3 P20309 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
ADRA1A P35348 1/20 0.39
HRH1 P35367 1/20 0.39
DRD3 P35462 1/20 0.39
SLC6A3 Q01959 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
CA2 P00918 1/20 0.33
MAPK1 P28482 1/20 0.33
SLC1A3 P43003 1/20 0.32
SLC1A2 P43004 1/20 0.32
SLC1A1 P43005 1/20 0.32
USP2 O75604 1/20 0.31
TSHR P16473 1/20 0.31
FFAR3 O14843 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
SCHEMBL7992862 0.82 TDP1 (0.40) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL1227082 0.76 TDP1 (0.46) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL27706260 0.76 TDP1 (0.43) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL2367602 0.75 ALDH1A1 (0.41) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL8882964 0.75 ALDH1A1 (0.41) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL4862797 0.74 FFAR3 (0.43) TDP1TSHRFFAR3ALDH1A1
SCHEMBL9638448 0.73 RNPEP (0.34) TDP1CHRM1AKR1A1CHRM3HTR2A
Hydrochloric Acid SCHEMBL9761260 0.72 FFAR3 (0.40) TDP1TSHRFFAR3ALDH1A1
SCHEMBL1604267 0.72 TDP1 (0.50) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL13761133 0.72 TDP1 (0.50) TDP1CHRM1AKR1A1CHRM3HTR2A

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
EP-0755927-B1 DIMETHYLFURANCARBOXANILIDE DERIVATIVE SANKYO CO (JP) 2001-07-18 EP disclosed