SCHEMBL11206986

SCHEMBL11206986

O=C1NC(=O)c2c(CCCCCCCCc3cccc4c3C(=O)NC4=O)cccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.45
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 3/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
PARP1 P09874 5/20 0.42
CASP3 P42574 6/20 0.39
CASP7 P55210 2/20 0.39
CASP2 P42575 1/20 0.39
CASP6 P55212 1/20 0.39
CASP8 Q14790 1/20 0.39
PDGFRA P16234 1/20 0.38
FER P16591 1/20 0.38
LTK P29376 1/20 0.38
CDK8 P49336 1/20 0.38
ACVR1 Q04771 1/20 0.38
LRRK2 Q5S007 1/20 0.38
DYRK1B Q9Y463 1/20 0.38
GSK3A P49840 1/20 0.38

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
SCHEMBL10712855 1.00 GSK3B (0.45) GSK3BKDM4EALDH1A1GAAHPGD
SCHEMBL11015946 1.00 GSK3B (0.45) GSK3BKDM4EALDH1A1GAAHPGD
SCHEMBL10914947 1.00 GSK3B (0.45) GSK3BKDM4EALDH1A1GAAHPGD
SCHEMBL10725524 0.92 NR1H2 (0.49) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL9402093 0.92 NR1H2 (0.49) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL8684492 0.92 NR1H2 (0.49) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL8938070 0.92 GSK3B (0.38) GSK3BKDM4EALDH1A1GAAHPGD
SCHEMBL9151570 0.92 GSK3B (0.38) GSK3BKDM4EALDH1A1GAAHPGD
SCHEMBL10730459 0.92 NR1H2 (0.49) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL17633986 0.92 KDM4E (0.41) GSK3BKDM4EALDH1A1GAAHPGD

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-0091669-A2 Process for producing porous, film-like or fibrous structure of aromatic polyester TEIJIN LIMITED (JP) 1983-10-19 EP disclosed