SCHEMBL3712481

SCHEMBL3712481

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

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.46
ACLY P53396 3/20 0.40
CPT2 P23786 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HMGCR P04035 1/20 0.39
CHRM1 P11229 1/20 0.39
TBXA2R P21731 1/20 0.39
ADRA1A P35348 1/20 0.39
HSPD1 P10809 1/20 0.38
BLM P54132 1/20 0.38
HSPE1 P61604 1/20 0.38
SLC22A6 Q4U2R8 1/20 0.36
FOLH1 Q04609 1/20 0.33
PGD P52209 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
SCHEMBL723184 0.77 ACLY (0.57) TDP1ACLYCPT2SMN1; SMN2ALDH1A1
SCHEMBL11340349 0.74 TDP1 (0.44) TDP1ACLYCPT2SMN1; SMN2ALDH1A1
SCHEMBL11196284 0.73 TDP1 (0.42) TDP1ACLYCPT2SMN1; SMN2ALDH1A1
SCHEMBL14558024 0.73 TDP1 (0.42) TDP1ACLYCPT2SMN1; SMN2ALDH1A1
SCHEMBL3282741 0.73 SLC22A6 (0.43) TDP1ACLYCPT2SMN1; SMN2ALDH1A1
SCHEMBL29112587 0.71 TDP1 (0.40) TDP1ACLYCPT2SMN1; SMN2ALDH1A1
SCHEMBL8855112 0.71 TDP1 (0.41) TDP1ACLYCPT2SMN1; SMN2ALDH1A1
SCHEMBL16526145 0.71 CYP2D6 (0.43) TDP1ACLYCPT2SMN1; SMN2ALDH1A1
SCHEMBL16405094 0.71 CYP2D6 (0.43) TDP1ACLYCPT2SMN1; SMN2ALDH1A1
SCHEMBL8853350 0.70 TDP1 (0.43) TDP1SMN1; SMN2HMGCRCHRM1TBXA2R

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
WO-2010104816-A1 CLEANING FORMULATION FOR REMOVING RESIDUES ON SURFACES FUJIFILM ELECTRONIC MATERIALS U.S.A., INC. (US) 2010-09-16 WO disclosed