SCHEMBL21501547

SCHEMBL21501547

CCC(C)CON1C(=O)c2ccccc2C1=O

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.51
POLB P06746 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ALDH1A1 P00352 7/20 0.49
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
MAPT P10636 3/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2C9 P11712 1/20 0.45
RECQL P46063 1/20 0.44
ATM Q13315 2/20 0.43
HPGD P15428 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
HTT P42858 1/20 0.42
KDM4E B2RXH2 1/20 0.41
F2 P00734 1/20 0.41
VDR P11473 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
SCHEMBL3576904 0.91 GAA (0.56) GAAPOLBSMN1; SMN2ALDH1A1MEN1
SCHEMBL19961833 0.84 GAA (0.56) GAAPOLBSMN1; SMN2ALDH1A1MEN1
SCHEMBL8752930 0.83 GAA (0.49) GAAPOLBSMN1; SMN2ALDH1A1MEN1
SCHEMBL1460760 0.81 GAA (0.50) GAAPOLBSMN1; SMN2ALDH1A1MEN1
SCHEMBL26316343 0.81 GAA (0.53) GAAPOLBSMN1; SMN2ALDH1A1MEN1
SCHEMBL2296725 0.81 POLB (0.58) GAAPOLBSMN1; SMN2ALDH1A1MEN1
SCHEMBL2296722 0.81 POLB (0.58) GAAPOLBSMN1; SMN2ALDH1A1MEN1
SCHEMBL31208299 0.81 POLB (0.58) GAAPOLBSMN1; SMN2ALDH1A1MEN1
SCHEMBL30201901 0.79 POLB (0.54) GAAPOLBSMN1; SMN2ALDH1A1MEN1
SCHEMBL527771 0.78 GAA (0.58) GAAPOLBSMN1; SMN2ALDH1A1MEN1

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-3271320-B1 COMPOSITIONS FOR THE TREATMENT OF FIBROSIS AND FIBROSIS-RELATED CONDITIONS VECTUS BIOSYSTEMS LTD (AU) 2019-10-23 EP disclosed