SCHEMBL9416166

SCHEMBL9416166

COCCOCOc1c(C#N)sc(OC(=O)COc2cccc3c2C(=O)NC3=O)c1OCOCCOC

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.31
DDB1 Q16531 1/20 0.31
CRBN Q96SW2 1/20 0.31
STK10 O94804 1/20 0.30
CLK2 P49760 1/20 0.30
GSK3A P49840 1/20 0.30
GSK3B P49841 1/20 0.30
SLK Q9H2G2 1/20 0.30
CLK4 Q9HAZ1 1/20 0.30

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
SCHEMBL8119171 0.82 CASP3 (0.36) CASP3DDB1CRBN
SCHEMBL8132902 0.81 AR (0.34) CASP3DDB1CRBNSTK10CLK2
SCHEMBL8128162 0.79 CASP3 (0.34) CASP3DDB1CRBN
SCHEMBL8132547 0.78 CYP1A2 (0.34) CASP3DDB1CRBN
SCHEMBL8134794 0.77 RARG (0.35) CASP3DDB1CRBN
SCHEMBL8167098 0.76 GAA (0.34) CASP3DDB1CRBN
SCHEMBL7966848 0.76 CASP3 (0.30) CASP3
SCHEMBL9416182 0.75 SMN1; SMN2 (0.32)
SCHEMBL9416181 0.72 ADORA2A (0.32)
SCHEMBL7967343 0.67 FABP4 (0.38) CASP3

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-0628562-A1 Cephalospornis having in position 7 as substituted axymino radical, intermediates, processes for their preparation and their use as medicaments ROUSSEL UCLAF (FR) 1994-12-14 EP disclosed