SCHEMBL5879638

SCHEMBL5879638

CC(C(=O)O)C1=C2CC=CC=C2NC(=O)c2ccccc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.34
CASP3 P42574 1/20 0.34
CASP2 P42575 1/20 0.34
CASP7 P55210 1/20 0.34
CASP6 P55212 1/20 0.34
CASP8 Q14790 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
TP53 P04637 2/20 0.33
LMNA P02545 2/20 0.33
MEN1 O00255 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
NPC1 O15118 1/20 0.33
PGR P06401 1/20 0.33
CYP3A4 P08684 1/20 0.33
GAA P10253 1/20 0.33
PKM P14618 1/20 0.33
NFKB1 P19838 1/20 0.33
DRD1 P21728 1/20 0.33

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
SCHEMBL10517673 0.79 GSK3B (0.38) GSK3BCASP3CASP2CASP7CASP6
Phthalimide SCHEMBL29036210 0.69 PTGS2 (0.55) GSK3BCASP3CASP2CASP7CASP6
SCHEMBL9669214 0.63 GSK3B (0.37) GSK3BCASP3CASP2CASP7CASP6
SCHEMBL3351153 0.62 KDM4E (0.49) GSK3BCASP3CASP2CASP7CASP6
Phthalimide SCHEMBL4318901 0.62 GSK3B (0.71) GSK3BCASP3CASP2CASP7CASP6
Phthalimide SCHEMBL15488735 0.62 GSK3B (0.79) GSK3BCASP3CASP2CASP7CASP6
Phthalimide SCHEMBL2319609 0.62 GSK3B (0.52) GSK3BCASP3CASP2CASP7CASP6
Phthalimide SCHEMBL27564000 0.62 GSK3B (0.52) GSK3BCASP3CASP2CASP7CASP6
Phthalimide SCHEMBL5306954 0.61 GSK3B (0.62) GSK3BCASP3CASP2CASP7CASP6
Phthalimide SCHEMBL11492689 0.61 GSK3B (0.68) GSK3BCASP3CASP2CASP7CASP6

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
US-7105508-B1 Integrin receptors antagonists ABBOTT GMBH & CO. KG (DE) 2006-09-12 US disclosed