SCHEMBL6211014

SCHEMBL6211014

CC(CCNC(=O)OCc1ccccc1)CC(=O)N1CCC2C1C(=O)CN2S(=O)(=O)Cc1cccnc1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSB P07858 1/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
FKBP1A P62942 1/20 0.39
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
GFER P55789 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SMYD3 Q9H7B4 2/20 0.36
GAA P10253 1/20 0.36
KCNA5 P22460 1/20 0.36

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
SCHEMBL6209447 0.91 ALDH1A1 (0.41) CTSBCTSSCTSKLMNATP53
SCHEMBL6210847 0.89 KEAP1 (0.38) SMN1; SMN2GAAKCNA5
SCHEMBL6211554 0.87 KCNA5 (0.39) CTSBCTSSCTSKLMNATP53
SCHEMBL6213867 0.86 CHRM4 (0.40) FKBP1ALMNASMYD3
SCHEMBL6254282 0.85 CTSK (0.38) CTSSCTSKGAAKCNA5
SCHEMBL6209450 0.85 CXCR3 (0.43) LMNATP53SMYD3GAA
SCHEMBL6208718 0.84 LMNA (0.42) CTSKLMNASMN1; SMN2SMYD3GAA
SCHEMBL6211570 0.83 SLC6A5 (0.38) LMNASMYD3
SCHEMBL6211038 0.83 CTSK (0.41) CTSKLMNASMYD3GAA
SCHEMBL6212257 0.83 POLB (0.40) LMNASMN1; SMN2SMYD3GAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1546150-A1 BIOLOGICALLY ACTIVE COMPOUNDS Amura Therapeutics Limited (GB) 2005-06-29 EP claimed
WO-2004007501-A1 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2004-01-22 WO claimed