SCHEMBL6231333

SCHEMBL6231333

CC1(CON2C(=O)c3ccccc3C2=O)CO1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.49
ALDH1A1 P00352 6/20 0.46
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C9 P11712 1/20 0.43
MAPT P10636 1/20 0.43
RECQL P46063 1/20 0.42
HTT P42858 1/20 0.40
POLB P06746 2/20 0.39
ATM Q13315 2/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
VDR P11473 1/20 0.36

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
SCHEMBL4216777 1.00 GAA (0.49) GAAALDH1A1MEN1KMT2ACYP1A2
SCHEMBL4216778 1.00 GAA (0.49) GAAALDH1A1MEN1KMT2ACYP1A2
SCHEMBL31126626 0.83 GAA (0.47) GAAALDH1A1MEN1KMT2ACYP1A2
SCHEMBL5097078 0.81 GAA (0.46) GAAALDH1A1MEN1KMT2ACYP1A2
SCHEMBL5097083 0.81 GAA (0.46) GAAALDH1A1MEN1KMT2ACYP1A2
SCHEMBL5591074 0.78 ALDH1A1 (0.47) ALDH1A1CYP1A2CYP2C9MAPTRECQL
SCHEMBL3289588 0.78 ALDH1A1 (0.47) ALDH1A1CYP1A2CYP2C9MAPTRECQL
SCHEMBL9183556 0.74 GAA (0.45) GAAALDH1A1MEN1KMT2ACYP1A2
SCHEMBL22833125 0.73 GAA (0.51) GAAALDH1A1MEN1KMT2ACYP1A2
SCHEMBL13545621 0.72 GAA (0.69) GAAALDH1A1MEN1KMT2ACYP1A2

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
EP-1521757-A1 NOVEL TRICYCLIC SPIROPIPERIDINES OR SPIROPYRROLIDINES AstraZeneca AB (SE) 2005-04-13 EP disclosed
WO-2004005295-A1 NOVEL TRICYCLIC SPIROPIPERIDINES OR SPIROPYRROLIDINES ASTRAZENECA AB (SE) 2004-01-15 WO disclosed