SCHEMBL9728224

SCHEMBL9728224

O=C(O)CC(=O)CC(CCO)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 11/20 0.45
TDP1 Q9NUW8 2/20 0.34
CHRM1 P11229 1/20 0.34
AKR1A1 P14550 1/20 0.34
CHRM3 P20309 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
ADRA1A P35348 1/20 0.34
HRH1 P35367 1/20 0.34
DRD3 P35462 1/20 0.34
SLC6A3 Q01959 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
LDHA P00338 1/20 0.33
SRR Q9GZT4 1/20 0.33
GRM3 Q14832 2/20 0.31
NAALAD2 Q9Y3Q0 1/20 0.31

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
SCHEMBL80939 0.81 FOLH1 (0.65) FOLH1TDP1CHRM1AKR1A1CHRM3
SCHEMBL786963 0.77 CA2 (0.46) FOLH1TDP1CHRM1AKR1A1CHRM3
SCHEMBL3893901 0.75 CHRM1 (0.55) FOLH1TDP1CHRM1AKR1A1CHRM3
Ammonia Solution, Strong SCHEMBL8998230 0.73 TDP1 (0.52) FOLH1TDP1CHRM1AKR1A1CHRM3
SCHEMBL2484602 0.73 FOLH1 (0.43) FOLH1TDP1CHRM1AKR1A1CHRM3
SCHEMBL11363310 0.73 FOLH1 (0.43) FOLH1TDP1CHRM1AKR1A1CHRM3
SCHEMBL36647 0.71
SCHEMBL2475950 0.71 LDHA (0.44) FOLH1TDP1LDHASRRNAALAD2
SCHEMBL14102824 0.70 FOLH1 (0.77) FOLH1GRM3NAALAD2
SCHEMBL928641 0.70 FOLH1 (0.64) FOLH1GRM3NAALAD2

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
US-5091094-A Controlling ionization to determine concentration of permeating ions BRITISH TECHNOLOGY GROUP LIMITED (GB) 1992-02-25 US claimed