SCHEMBL21804872

SCHEMBL21804872

CCOP(=O)(CC(CCCO)C(=O)O)OCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 2/20 0.44
FOLH1 Q04609 5/20 0.41
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
TDP1 Q9NUW8 1/20 0.39
MAPK1 P28482 2/20 0.39
CA2 P00918 1/20 0.39
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.36
GRM3 Q14832 2/20 0.36
NAALAD2 Q9Y3Q0 1/20 0.36

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
SCHEMBL21805451 0.88 CHRM1 (0.54) PPARDFOLH1CHRM1AKR1A1CHRM3
SCHEMBL29159494 0.82 TSHR (0.44) PPARDFOLH1CHRM1AKR1A1CHRM3
SCHEMBL21804792 0.81 PPARD (0.40) PPARDTDP1MAPK1MAPTTSHR
SCHEMBL27623719 0.81 SLC1A3 (0.43) PPARDFOLH1CHRM1AKR1A1CHRM3
SCHEMBL17504764 0.81 FOLH1 (0.58) FOLH1GRM3NAALAD2
SCHEMBL14561058 0.77 FOLH1 (0.55) PPARDFOLH1CHRM1AKR1A1CHRM3
SCHEMBL17533765 0.75 FOLH1 (0.54) FOLH1GRM3NAALAD2
SCHEMBL8967799 0.74 TSHR (0.48) PPARDTDP1MAPK1CA2MAPT
SCHEMBL2233014 0.72 CA2 (0.71) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL49001 0.72 CHRM1 (0.76) FOLH1CHRM1AKR1A1CHRM3HTR2A

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
EP-3853213-A1 SHIELDING AGENTS AND THEIR USE Endocyte, Inc. (US) 2021-07-28 EP disclosed
WO-2020061293-A1 SHIELDING AGENTS AND THEIR USE ENDOCYTE, INC. (US) 2020-03-26 WO disclosed