SCHEMBL6687739

SCHEMBL6687739

CC(C)CC(OC(N)=O)C(=O)N(CC(=O)CNS(=O)(=O)c1ccc2oc3ccccc3c2c1)Cc1ccncc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP12 P39900 6/20 0.42
▸ MMP13 P45452 6/20 0.42
▸ HTT P42858 6/20 0.40
▸ MAPT P10636 4/20 0.40
▸ LMNA P02545 3/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ CYP2C19 P33261 3/20 0.38
▸ CYP1A2 P05177 2/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ HPGD P15428 2/20 0.37
▸ GAA P10253 2/20 0.37
▸ KEAP1 Q14145 1/20 0.36
▸ HSD11B1 P28845 1/20 0.36
▸ CTSK P43235 1/20 0.35
▸ ALOX15 P16050 1/20 0.34

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
SCHEMBL5934949 0.86 MMP12 (0.44) MMP12MMP13HTTMAPTLMNA
SCHEMBL6681062 0.85 MMP12 (0.43) MMP12MMP13HTTMAPTLMNA
SCHEMBL6683187 0.83 MMP12 (0.40) MMP12MMP13CTSK
SCHEMBL6687741 0.82 MMP12 (0.40) MMP12MMP13HTTMAPTLMNA
SCHEMBL6681323 0.81 HTT (0.41) MMP12MMP13HTTMAPTLMNA
SCHEMBL5934913 0.80 MMP12 (0.47) MMP12MMP13HTTMAPTLMNA
SCHEMBL7374325 0.80 MMP12 (0.47) MMP12MMP13HTTMAPTLMNA
SCHEMBL6685713 0.78 MMP12 (0.43) MMP12MMP13CTSK
SCHEMBL6687382 0.77 MMP12 (0.43) MMP12MMP13HTTMAPTLMNA
SCHEMBL6681473 0.74 HTT (0.43) MMP12MMP13HTTMAPTLMNA

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