SCHEMBL10429943

SCHEMBL10429943

CCOC(=O)CN(CCC(O)C(=O)OC(C)(C)C)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ PPARG P37231 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ AAK1 Q2M2I8 1/20 0.36
▸ LTA4H P09960 1/20 0.35
▸ PIN1 Q13526 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ PPID Q08752 1/20 0.34
▸ HSD11B1 P28845 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ CTDSP1 Q9GZU7 1/20 0.34

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
SCHEMBL7429558 0.82 SMN1; SMN2 (0.48) SMN1; SMN2PPARGL3MBTL1LTA4HGAA
SCHEMBL8089314 0.80 SMN1; SMN2 (0.58) SMN1; SMN2PPARGLTA4HGAAPPID
SCHEMBL9123816 0.78 SMN1; SMN2 (0.55) SMN1; SMN2PPARGLTA4HGAAMAPT
SCHEMBL8624227 0.77 SMN1; SMN2 (0.57) SMN1; SMN2PPARGLTA4HGAAPPID
SCHEMBL9831449 0.76 SMN1; SMN2 (0.61) SMN1; SMN2PPARGL3MBTL1LTA4HPOLB
SCHEMBL11234182 0.75 PPARG (0.55) SMN1; SMN2PPARGLTA4HGAAPOLB
SCHEMBL4436691 0.75 SMN1; SMN2 (0.52) SMN1; SMN2PPARGLTA4HGAAPPID
SCHEMBL12762278 0.74 SMN1; SMN2 (0.54) SMN1; SMN2PPARGLTA4HGAAPPID
SCHEMBL6486619 0.74 SMN1; SMN2 (0.54) SMN1; SMN2PPARGLTA4HGAAMEN1
SCHEMBL9188630 0.74 PPARG (0.54) SMN1; SMN2PPARGLTA4HGAAMEN1

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-0399184-A2 Reagents, methods and kits for an amphetamine-class fluorescence polarization immunoassay ABBOTT LABORATORIES (US) 1990-11-28 — — EP disclosed
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