SCHEMBL9067418

SCHEMBL9067418

CCOC(OCC)(OCC)OC(=O)CC(CC(=O)O)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 2/20 0.37
CPA1 P15085 2/20 0.33
CPB1 P15086 1/20 0.33
CPA3 P15088 1/20 0.33
CPB2 Q96IY4 1/20 0.33
TDP1 Q9NUW8 2/20 0.32
CHRM1 P11229 1/20 0.32
AKR1A1 P14550 1/20 0.32
CHRM3 P20309 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
ADRA1A P35348 1/20 0.32
HRH1 P35367 1/20 0.32
DRD3 P35462 1/20 0.32
SLC6A3 Q01959 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
POLB P06746 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL9067409 0.80 MGAM (0.32) ALDH1A1
SCHEMBL7767241 0.76 MGAM (0.44) FOLH1CPA1CPB1CPA3CPB2
SCHEMBL4839844 0.71 MEN1 (0.47) FOLH1TDP1CHRM1AKR1A1CHRM3
SCHEMBL10259513 0.71 FOLH1 (0.46) FOLH1CPA1CPB1CPA3CPB2
SCHEMBL5369808 0.71 FOLH1 (0.50) FOLH1CPA1CPB1CPA3CPB2
SCHEMBL784015 0.71 ALDH1A1 (0.35) TDP1ALDH1A1
SCHEMBL4831221 0.70 GAA (0.40) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL8540242 0.70 FOLH1 (0.38) FOLH1CPA1CPB1CPA3CPB2
SCHEMBL28349822 0.70 FOLH1 (0.47) FOLH1CPA1CPB1CPA3CPB2
SCHEMBL26108020 0.70 FOLH1 (0.38) FOLH1CPA1CPB1CPA3CPB2

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-5576406-A ACRYLATE POLYMERS FOR PAINTS, ADHESIVES OR SEALS DAINIPPON INK AND CHEMICALS, INC. (JP) 1996-11-19 US disclosed