SCHEMBL14558024

SCHEMBL14558024

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.40
HMGCR P04035 1/20 0.40
CHRM1 P11229 1/20 0.40
TBXA2R P21731 1/20 0.40
ADRA1A P35348 1/20 0.40
PGD P52209 2/20 0.38
SLC22A6 Q4U2R8 1/20 0.38
HSPD1 P10809 1/20 0.35
BLM P54132 1/20 0.35
HSPE1 P61604 1/20 0.35
TSHR P16473 2/20 0.35
ALDH1A1 P00352 1/20 0.35
FOLH1 Q04609 2/20 0.34
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33
MAPT P10636 1/20 0.33
CPT2 P23786 1/20 0.32
ACLY P53396 1/20 0.32

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
SCHEMBL1941442 0.82 TDP1 (0.43) TDP1SMN1; SMN2HMGCRCHRM1TBXA2R
SCHEMBL28117913 0.82 TDP1 (0.43) TDP1SMN1; SMN2HMGCRCHRM1TBXA2R
SCHEMBL1941444 0.82 TDP1 (0.43) TDP1SMN1; SMN2HMGCRCHRM1TBXA2R
SCHEMBL8853350 0.82 TDP1 (0.43) TDP1SMN1; SMN2HMGCRCHRM1TBXA2R
SCHEMBL1533821 0.81 TDP1 (0.39) TDP1SMN1; SMN2HMGCRCHRM1TBXA2R
SCHEMBL321093 0.81 TDP1 (0.39) TDP1SMN1; SMN2HMGCRCHRM1TBXA2R
SCHEMBL4313364 0.81 TDP1 (0.39) TDP1SMN1; SMN2HMGCRCHRM1TBXA2R
SCHEMBL28481021 0.79 TDP1 (0.37) TDP1SMN1; SMN2HMGCRCHRM1TBXA2R
SCHEMBL27873809 0.79 CA2 (0.44) HMGCRCHRM1TBXA2RADRA1ATSHR
SCHEMBL19788372 0.78 TDP1 (0.40) 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
US-20070071665-A1 Use of a derivative of aspartic acid as a collector in froth flotation processes AKZO NOBEL N.V. (NL) 2007-03-29 US disclosed