SCHEMBL6234945

SCHEMBL6234945

COc1cc(OCc2ccc(SC(F)(F)F)cc2)cc(OC)c1CN[C@@H](CC(C)C)c1ncc(C)s1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTPRZ1 P23471 1/20 0.39
CD274 Q9NZQ7 14/20 0.36
CTSA P10619 4/20 0.33
PDCD1 Q15116 1/20 0.33
PPARD Q03181 1/20 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
SCHEMBL6271280 1.00 PTPRZ1 (0.39) PTPRZ1CD274CTSAPDCD1PPARD
SCHEMBL6231277 0.90 PTPRZ1 (0.41) PTPRZ1CD274CTSAPDCD1PPARD
SCHEMBL6237287 0.89 CTSA (0.42) CD274CTSAPDCD1PPARD
SCHEMBL6253469 0.89 CTSA (0.42) CD274CTSAPDCD1PPARD
SCHEMBL6232104 0.80 PTPRZ1 (0.42) PTPRZ1CD274CTSAPDCD1PPARD
SCHEMBL6256021 0.80 PTPRZ1 (0.42) PTPRZ1CD274CTSAPDCD1PPARD
SCHEMBL6271288 0.78 PTPRZ1 (0.38) PTPRZ1CD274PDCD1PPARD
SCHEMBL6234948 0.78 PTPRZ1 (0.38) PTPRZ1CD274PDCD1PPARD
SCHEMBL6231278 0.78 PTPRZ1 (0.41) PTPRZ1CD274PPARD
SCHEMBL6235514 0.77 CD274 (0.40) CD274CTSAPDCD1

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-2005000309-A2 CHEMICAL COMPOUNDS IONIX PHARMACEUTICALS LIMITED (GB) 2005-01-06 WO disclosed