SCHEMBL6683187

SCHEMBL6683187

CC(C)CC(NC(=O)OCc1ccccc1)C(=O)N(CC(=O)CNS(=O)(=O)c1ccc2oc3ccccc3c2c1)Cc1ccncc1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MMP12 P39900 2/20 0.40
▸ MMP13 P45452 2/20 0.40
▸ CTSK P43235 9/20 0.40
▸ CTSL P07711 4/20 0.40
▸ CTSS P25774 4/20 0.40
▸ CTSB P07858 2/20 0.40
▸ CASP1 P29466 1/20 0.39
▸ CA5A P35218 1/20 0.39
▸ CA1 P00915 1/20 0.38
▸ HRAS P01112 5/20 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
SCHEMBL6685713 0.96 MMP12 (0.43) MMP12MMP13CTSKCTSLCTSS
SCHEMBL5934949 0.91 MMP12 (0.44) MMP12MMP13CTSKCTSSCTSB
SCHEMBL7163257 0.87 CTSK (0.46) MMP12MMP13CTSKCTSLCTSS
SCHEMBL5934913 0.87 MMP12 (0.47) MMP12MMP13CTSK
SCHEMBL6681062 0.85 MMP12 (0.43) MMP12MMP13
SCHEMBL6687739 0.83 MMP12 (0.42) MMP12MMP13CTSK
SCHEMBL5934907 0.82 CA5A (0.52) CTSKCTSLCTSSCTSBCASP1
SCHEMBL7374325 0.80 MMP12 (0.47) MMP12MMP13
SCHEMBL8042541 0.79 CASP1 (0.49) CTSKCTSLCTSSCTSBCASP1
SCHEMBL5934909 0.79 CASP1 (0.49) MMP12MMP13CTSKCTSLCTSS

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
WO-2004058238-A1 USE OF CATHEPSIN K INHIBITORS FOR THE TREATMENT OF GLAUCOMA ALCON, INC. (CH) 2004-07-15 — — WO claimed
WO-2004058238-A1 USE OF CATHEPSIN K INHIBITORS FOR THE TREATMENT OF GLAUCOMA ALCON, INC. (CH) 2004-07-15 — — WO disclosed
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