SCHEMBL7079995

SCHEMBL7079995

OC(=S)N(C(=S)OC1CC2CCC1C2)C1CC2CCC1C2

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.42
CYP19A1 P11511 1/20 0.33
MAPT P10636 1/20 0.33
GRM1 Q13255 2/20 0.32

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
SCHEMBL5142845 0.81 MAPT (0.37) ATMMAPT
SCHEMBL3074527 0.70 MAPT (0.37) ATMMAPT
SCHEMBL3070360 0.68 ATM (0.47) ATMCYP19A1MAPTGRM1
SCHEMBL3071676 0.67 ATM (0.46) ATMCYP19A1MAPTGRM1
SCHEMBL32689203 0.67 ATM (0.59) ATMCYP19A1GRM1
SCHEMBL7442862 0.66 ATM (0.62) ATMCYP19A1GRM1
SCHEMBL13740309 0.66 ATM (0.62) ATMCYP19A1GRM1
SCHEMBL3067587 0.66 MAPT (0.34) MAPT
SCHEMBL2702842 0.64 ATM (0.50) ATMCYP19A1MAPTGRM1
SCHEMBL3073477 0.64 ATM (0.59) ATMCYP19A1GRM1

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
WO-2003060192-A1 NON-TOXIC CORROSION-PROTECTION RINSES AND SEALS BASED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed