SCHEMBL3869157

SCHEMBL3869157

CCn1cc(C(=O)OC2CC2)c(=O)c2cc(F)c(F)c(OC(C)C)c21

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 4/20 0.42
HPGD P15428 4/20 0.42
HSD17B10 Q99714 4/20 0.42
PMP22 Q01453 1/20 0.41
STAT3 P40763 1/20 0.39
KMT2A Q03164 2/20 0.38
ADRB2 P07550 1/20 0.38
HTR3A P46098 4/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
TOP1 P11387 1/20 0.37
KCNH2 Q12809 1/20 0.36
PIM1 P11309 1/20 0.36
LMNA P02545 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
SCHEMBL3820416 0.89 TOP1 (0.44) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL7158963 0.88 KDM4E (0.49) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL1440873 0.84 HPGD (0.42) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL10857506 0.84 HPGD (0.44) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL3870889 0.82 FOXO1 (0.40) KDM4EALDH1A1STAT3HTR3ATDP1
SCHEMBL7511600 0.81 TOP1 (0.42) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL1344946 0.78 ADRB2 (0.58) KDM4EALDH1A1HPGDHSD17B10STAT3
SCHEMBL6167648 0.77 TDP1 (0.41) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL1461785 0.76 KDM4E (0.40) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL584797 0.76 STAT3 (0.53) KDM4EALDH1A1HPGDHSD17B10PMP22

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-2013182-A2 AMINOQUINOLONES AS GSK-3 INHIBITORS Activx Biosciences, Inc. (US) 2009-01-14 EP disclosed
WO-2007106537-A2 AMINOQUINOLONES AS GSK-3 INHIBITORS ACTIVX BIOSCIENCES, INC. (US) 2007-09-20 WO disclosed