SCHEMBL11554285

SCHEMBL11554285

CCOC(=O)N1CC=C(C(=O)O)CC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.42
TSHR P16473 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
ABL1 P00519 1/20 0.42
POLB P06746 1/20 0.42
RIN1 Q13671 1/20 0.42
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 2/20 0.41
GAA P10253 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
HPGD P15428 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL11578372 0.89 SMN1; SMN2 (0.37) MAPTTSHRTDP1POLBKDM4E
SCHEMBL6214637 0.89 MAPT (0.43) MAPTTSHRTDP1ABL1POLB
SCHEMBL11556626 0.87 SMN1; SMN2 (0.48) MAPTTSHRTDP1POLBKDM4E
SCHEMBL11580323 0.83 CYP2C19 (0.38) MAPTTSHRALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL7958636 0.82 ERN1 (0.43) LMNAMEN1KMT2A
SCHEMBL7447957 0.81 MAPT (0.45) MAPTTSHRTDP1ABL1POLB
SCHEMBL11560889 0.81 GRM5 (0.57) MAPTALDH1A1GAAL3MBTL1SMN1; SMN2
SCHEMBL3997777 0.79 GRM5 (0.49) SMN1; SMN2
SCHEMBL21077854 0.79 MAPT (0.43) MAPTTSHRTDP1ABL1POLB
SCHEMBL8117386 0.79 MAPT (0.43) MAPTTSHRTDP1ABL1POLB

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
EP-0000167-A1 1,2,3,6-Tetrahydroisonicotinic acid and derivatives thereof, methods and starting products for their preparation, and pharmaceutical compositions containing them. Krogsgaard-Larsen, Povl (DK) 1979-01-10 EP disclosed