SCHEMBL11032771

SCHEMBL11032771

O=C(O)CC(COC(=O)O)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 6/20 0.48
CPA1 P15085 2/20 0.41
CPB1 P15086 1/20 0.41
CPA3 P15088 1/20 0.41
CPB2 Q96IY4 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
SLC22A6 Q4U2R8 1/20 0.36
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
GABRR1 P24046 2/20 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
SCHEMBL11032783 0.86 FOLH1 (0.48) FOLH1CPA1CPB1CPA3CPB2
SCHEMBL11036131 0.82 MEN1 (0.35) FOLH1CPA1CPB1CPA3CPB2
SCHEMBL10996552 0.82 FOLH1 (0.45) FOLH1CPA1CPB1CPA3CPB2
SCHEMBL11032059 0.80 FOLH1 (0.43) FOLH1CPA1CPB1CPA3CPB2
SCHEMBL10988160 0.80 FOLH1 (0.43) FOLH1CPA1CPB1CPA3CPB2
SCHEMBL8147756 0.80 FOLH1 (0.52) FOLH1CPA1CPB1CPA3CPB2
SCHEMBL11034601 0.80 FOLH1 (0.36) FOLH1CPA1CPB1CPA3CPB2
SCHEMBL7761817 0.77 TSHR (0.52) FOLH1CPA1CPB1CPA3CPB2
SCHEMBL6060798 0.76 PGK1 (0.32) TDP1LMNA
SCHEMBL4864369 0.76 FOLH1 (0.48) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4499057-A USING 2,3-DIOXYCARBONYLPROPYL CARBONATES; HYDROMETALLURGY SOCIETE NATIONALE DES POUDRES ET EXPLOSIFS (FR) 1985-02-12 US claimed
US-4499057-A USING 2,3-DIOXYCARBONYLPROPYL CARBONATES; HYDROMETALLURGY SOCIETE NATIONALE DES POUDRES ET EXPLOSIFS (FR) 1985-02-12 US disclosed
US-4423235-A EXTRACTION AGENTS FOR HYDROMETALLURGY SOCIETE NATIONALE DES POUDRES ET EXPLOSIFS (FR) 1983-12-27 US disclosed