SCHEMBL6288672

SCHEMBL6288672

CC[C@H](NC(=O)[C@@H](CC(F)(F)C(N)=O)C1COCCN1C(=O)O)C(=O)c1nc(-c2ccccc2)no1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 5/20 0.34
HDAC6 Q9UBN7 1/20 0.34
CPT1A P50416 1/20 0.33
WNT3A P56704 1/20 0.33
S1PR1 P21453 2/20 0.32
CTSS P25774 1/20 0.32
POLB P06746 1/20 0.32
KDM4E B2RXH2 1/20 0.32
GAA P10253 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
SCHEMBL6288673 0.77 HDAC4 (0.40) HDAC4HDAC6WNT3A
SCHEMBL13937556 0.75 CTSS (0.45) HDAC4HDAC6CTSS
SCHEMBL3869252 0.74 KDM4E (0.41) HDAC4HDAC6S1PR1POLBKDM4E
SCHEMBL8360108 0.73 CTSS (0.43) HDAC4HDAC6CTSS
SCHEMBL6077337 0.73 CTSS (0.43) HDAC4HDAC6CTSS
SCHEMBL3869248 0.72 HDAC4 (0.39) HDAC4HDAC6S1PR1POLBKDM4E
SCHEMBL6077329 0.70 CTSS (0.41) HDAC4HDAC6CTSS
SCHEMBL8361671 0.70 CTSS (0.41) HDAC4HDAC6CTSS
SCHEMBL8292288 0.68 CTSS (0.44) HDAC4HDAC6CTSS
SCHEMBL14563109 0.67 CTSS (0.48) CTSS

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-2005040142-A9 NOVEL KETO-OXADIAZOLE DERIVATIVES AS CATHEPSIN INHIBITORS AVENTIS PHARMA INC (US) 2005-06-09 WO claimed