SCHEMBL6686893

SCHEMBL6686893

COc1cc(OCc2ccc(SC(F)(F)F)cc2)cc(OC)c1CN[C@@H](CC(C)C)C(N)=O

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTPRZ1 P23471 1/20 0.42
CD274 Q9NZQ7 9/20 0.40
ATM Q13315 1/20 0.37
PDCD1 Q15116 1/20 0.37

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
SCHEMBL6686890 1.00 PTPRZ1 (0.42) PTPRZ1CD274ATMPDCD1
SCHEMBL6689339 0.89 PTPRZ1 (0.43) PTPRZ1CD274PDCD1
SCHEMBL6687537 0.89 PTPRZ1 (0.43) PTPRZ1CD274PDCD1
SCHEMBL6686474 0.89 MAOB (0.47) PTPRZ1CD274
SCHEMBL6686473 0.89 MAOB (0.47) PTPRZ1CD274
SCHEMBL6687562 0.88 PPARG (0.42) PTPRZ1CD274PDCD1
SCHEMBL6687567 0.88 PPARG (0.42) PTPRZ1CD274PDCD1
SCHEMBL6690101 0.87 ATM (0.47) PTPRZ1CD274ATMPDCD1
SCHEMBL6690103 0.87 ATM (0.47) PTPRZ1CD274ATMPDCD1
SCHEMBL6685304 0.82 CD274 (0.42) PTPRZ1CD274ATM

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-2004087125-A1 AMINO ACID DERIVATIVES AS INHIBITORS OF MAMMALIAN SODIUM CHANNELS IONIX PHARMACEUTICALS LIMITED (GB) 2004-10-14 WO disclosed