SCHEMBL9064587

SCHEMBL9064587

COCCOCOc1c(C#N)sc(C(ON)(C(=O)O)C(c2ccccc2)c2ccccc2)c1OCOCCOC

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GLS O94925 1/20 0.31
RARG P13631 1/20 0.30
CTSS P25774 1/20 0.30
CTSK P43235 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
SCHEMBL7960015 0.89 GPR88 (0.32) GLSRARGCTSSCTSK
SCHEMBL7966848 0.82 CASP3 (0.30)
SCHEMBL7960483 0.76 GLS (0.31) GLSRARG
SCHEMBL8382622 0.70 CTSS (0.30) CTSSCTSK
SCHEMBL9065075 0.70 ADORA2A (0.30)
SCHEMBL8518087 0.67 ADORA2A (0.32)
SCHEMBL9416182 0.67 SMN1; SMN2 (0.32)
SCHEMBL8517371 0.66 SMN1; SMN2 (0.30)
SCHEMBL9416181 0.66 ADORA2A (0.32)
SCHEMBL9416174 0.66 ADORA2A (0.30)

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-5587372-A BACERICIDES ROUSSEL UCLAF (FR) 1996-12-24 US disclosed