SCHEMBL719966

SCHEMBL719966

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

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.46
SLC22A6 Q4U2R8 1/20 0.43
TSHR P16473 2/20 0.43
TDP1 Q9NUW8 1/20 0.42
PDE4A P27815 1/20 0.39
GABRR1 P24046 2/20 0.37
LMNA P02545 1/20 0.37
FOLH1 Q04609 2/20 0.34
CYP2C9 P11712 1/20 0.34
PGD P52209 1/20 0.34
MAPT P10636 1/20 0.33

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
SCHEMBL720819 0.81 SMN1; SMN2 (0.52) SMN1; SMN2SLC22A6TSHRTDP1PDE4A
SCHEMBL29689102 0.77 PDE4A (0.52) SMN1; SMN2SLC22A6TSHRTDP1PDE4A
SCHEMBL9721059 0.77 PDE4A (0.52) SMN1; SMN2SLC22A6TSHRTDP1PDE4A
SCHEMBL18211310 0.77 PDE4A (0.52) SMN1; SMN2SLC22A6TSHRTDP1PDE4A
SCHEMBL20214209 0.77 PDE4A (0.52) SMN1; SMN2SLC22A6TSHRTDP1PDE4A
SCHEMBL26138080 0.75 PDE4A (0.62) SMN1; SMN2SLC22A6TSHRTDP1PDE4A
SCHEMBL4721742 0.74 SLC22A6 (0.62) SMN1; SMN2SLC22A6TSHRTDP1GABRR1
SCHEMBL5437765 0.74 SLC22A6 (0.62) SMN1; SMN2SLC22A6TSHRTDP1GABRR1
SCHEMBL3902208 0.74 SLC22A6 (0.62) SMN1; SMN2SLC22A6TSHRTDP1GABRR1
SCHEMBL8339026 0.74 TSHR (0.64) SMN1; SMN2TSHRTDP1PDE4ALMNA

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-20120048295-A1 CLEANING FORMULATION FOR REMOVING RESIDUES ON SURFACES FUJIFILM ELECTRONIC MATERIALS U.S.A., INC. (US) 2012-03-01 US disclosed