SCHEMBL6509490

SCHEMBL6509490

CCOC(=O)N1CC(O)C1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.48
TSHR P16473 1/20 0.48
ALDH1A1 P00352 4/20 0.47
POLB P06746 2/20 0.47
HTT P42858 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.44
THRB P10828 1/20 0.44
ATM Q13315 1/20 0.44
RECQL P46063 1/20 0.44
KDM4E B2RXH2 1/20 0.43
NOS3 P29474 1/20 0.42
NOS2 P35228 1/20 0.42
CHRM1 P11229 4/20 0.41
MAPT P10636 2/20 0.41
ABL1 P00519 1/20 0.41
RIN1 Q13671 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL2978403 0.84 GAA (0.56) GAATSHRALDH1A1POLBHTT
SCHEMBL701943 0.84 GAA (0.56) GAATSHRALDH1A1POLBHTT
Hydrochloric Acid SCHEMBL8307643 0.82 GAA (0.54) GAATSHRALDH1A1POLBHTT
SCHEMBL1633241 0.82 LMNA (0.56) GAATSHRALDH1A1POLBSMN1; SMN2
SCHEMBL15424547 0.82 GAA (0.48) GAATSHRALDH1A1POLBHTT
SCHEMBL14243070 0.82 CHRNB2 (0.51) GAATSHRALDH1A1POLBHTT
SCHEMBL18307651 0.82 GAA (0.48) GAATSHRALDH1A1POLBHTT
SCHEMBL20985884 0.81 MAPT (0.54) GAATSHRALDH1A1POLBHTT
SCHEMBL28219918 0.81 PDK1 (0.34) GAATSHRALDH1A1POLBHTT
SCHEMBL8489223 0.81 ALDH1A1 (0.50) GAATSHRALDH1A1POLBHTT

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
WO-2022056449-A1 COMPOUNDS AS MODULATORS OF BIS-PHOSPHOGLYCERATE MUTASE FOR THE TREATMENT OF SICKLE CELL DISEASE GENZYME CORPORATION (US) 2022-03-17 WO disclosed
WO-2005019191-A2 1, 1-DIOXIDO-4H-1,2,4-BENZOTHIADIAZINE DERIVATE UND VERWANDTE VERBINDUNGEN ALS INHIBITOREN DER HCV POLYMERASE ZUR BEHANDLUNG VON HEPATITIS C ABBOTT LABORATORIES (US) 2005-03-03 WO disclosed