SCHEMBL17023949

SCHEMBL17023949

CCCC[C@](C)(OC(C)=O)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.52
ALDH1A1 P00352 1/20 0.43
FDPS P14324 1/20 0.35
TP53 P04637 1/20 0.33
TSHR P16473 1/20 0.33
PAM P19021 2/20 0.32
HCAR2 Q8TDS4 1/20 0.32
ATM Q13315 1/20 0.32
CA2 P00918 1/20 0.32
MAPK1 P28482 1/20 0.32
AKR1B1 P15121 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
SCHEMBL17023959 1.00 GAA (0.52) GAAALDH1A1FDPSTP53TSHR
SCHEMBL15618963 1.00 GAA (0.52) GAAALDH1A1FDPSTP53TSHR
SCHEMBL28497128 0.92 GAA (0.48) GAAALDH1A1FDPSTSHRATM
SCHEMBL14142393 0.92 GAA (0.48) GAAALDH1A1FDPSTSHRATM
SCHEMBL28022787 0.92 GAA (0.48) GAAALDH1A1FDPSTSHRATM
SCHEMBL28023447 0.92 GAA (0.48) GAAALDH1A1FDPSTSHRATM
SCHEMBL3326996 0.82 GAA (0.50) GAAALDH1A1FDPSTSHR
SCHEMBL17023971 0.82 NAAA (0.38) GAAALDH1A1FDPSTP53TSHR
SCHEMBL17023972 0.82 NAAA (0.38) GAAALDH1A1FDPSTP53TSHR
SCHEMBL11534385 0.82 GAA (0.50) GAA

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-20150240272-A1 LACTATE PRODUCTION PROCESS PLAXICA LIMITED (GB) 2015-08-27 US disclosed